Chemical Properties of 1-[(4-chlorophenyl)methyl]-5-fluoropyrimidine-2,4-dione

1-[(4-chlorophenyl)methyl]-5-fluoropyrimidine-2,4-dione

InChI
InChI=1S/C11H8ClFN2O2/c12-8-3-1-7(2-4-8)5-15-6-9(13)10(16)14-11(15)17/h1-4,6H,5H2,(H,14,16,17)
InChI Key
FWLNZTGNVCRKCU-UHFFFAOYSA-N
Formula
C11H8ClFN2O2
SMILES
O=c1[nH]c(=O)n(Cc2ccc(Cl)cc2)cc1F
Molecular Weight1
254.65
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Physical Properties

Property Value Unit Source
ω 0.6268 Relay (1.0) Calculated Property
ΔfG° -90.60 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -335.66 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 114.47 kJ/mol Relay (1.0) Calculated Property
IE 8.83 eV Relay (1.0) Calculated Property
log10WS -3.49 Aq. Solubility Prediction
logPoct/wat 0.895 Crippen Calculated Property
McVol 164.040 ml/mol McGowan Calculated Property
Pc 3524.26 kPa Relay (1.0-beta) Calculated Property
Tboil 631.87 K Relay (1.0) Calculated Property
Tc 897.18 K Relay (1.0) Calculated Property
Tfus 464.38 K Relay (1.0) Calculated Property
Vc 0.592 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

5-fluoro-1-[(4-methylphenyl)methyl]pyrimidine-2,4-dione. 5-fluoro-1-(phenylmethyl)pyrimidine-2,4-dione. 5-fluoro-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione. Uracil, 1-{p-[3-(2-chloroethyl)ureido]benzyl}-. Quinidine. Quinine. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 1. Sophoramine. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 2. 9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 2',3'-diacetate, 5'-bis(3,5-dimethylphenyl)phosphate. inosine-5'-monophosphate, TMS. 21-Hydroxyintergerrimine. Tinctorine. (1'S,3R,4a'S,5a'S,10a'S)-Methyl 1'-methyl-2-oxo-1',4a',5',5a',7',8',10',10a'-octahydrospiro[indoline-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate. Quinine, trimethylsilyl ether.

Find more compounds similar to 1-[(4-chlorophenyl)methyl]-5-fluoropyrimidine-2,4-dione.

Sources

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