1-(2-fluoro-3-methoxyphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one

C16H14F2O2S — CID 104793473

IUPAC1-(2-fluoro-3-methoxyphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one
SMILESCOc1cccc(CC(=O)CSc2cccc(F)c2)c1F
InChIInChI=1S/C16H14F2O2S/c1-20-15-7-2-4-11(16(15)18)8-13(19)10-21-14-6-3-5-12(17)9-14/h2-7,9H,8,10H2,1H3
InChIKeyFMWJPPJTPOLXAE-UHFFFAOYSA-N
MW308.35 g/mol
LogP3.88
Rot. Bonds6

About 1-(2-fluoro-3-methoxyphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one

1-(2-fluoro-3-methoxyphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one (PubChem CID 104793473) has the molecular formula C16H14F2O2S and a molecular weight of 308.35 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one
PubChem CID104793473
Molecular FormulaC16H14F2O2S
Molecular Weight308.35 g/mol
Exact Mass308.07
IUPAC Name1-(2-fluoro-3-methoxyphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one
SMILESCOc1cccc(CC(=O)CSc2cccc(F)c2)c1F
InChIInChI=1S/C16H14F2O2S/c1-20-15-7-2-4-11(16(15)18)8-13(19)10-21-14-6-3-5-12(17)9-14/h2-7,9H,8,10H2,1H3
InChIKeyFMWJPPJTPOLXAE-UHFFFAOYSA-N
XLogP3.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-3-methoxyphenyl)-3-(3-methylphenyl)sulfanylpropan-2-one
CID 104793476
1-(2-fluoro-3-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropan-2-one
CID 104793475
1-(2,4-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-one
CID 104793440
1-(2-fluoro-3-methoxyphenyl)-3-(2-methylphenyl)sulfanylpropan-2-one
CID 104793477
1-(4-fluorophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one
CID 66070184
1-(3-bromophenyl)sulfanyl-3-(2-methoxyphenyl)propan-2-one
CID 66142964
1-(2-chloro-3-fluorophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one
CID 115983515
1-(3,4-dimethylphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one
CID 66072049
1-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenyl)sulfanylethanone
CID 66072256
1-(2-fluoro-3-methoxyphenyl)-3-methoxypropan-2-one
CID 104793398
1-(2,5-difluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 104793432
2-(3,4-dimethoxyphenyl)sulfanyl-1-(3-fluorophenyl)ethanone
CID 91880258

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one (CID 104793473) is 1-(2-fluoro-3-methoxyphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one is COc1cccc(CC(=O)CSc2cccc(F)c2)c1F.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one?
The InChIKey is FMWJPPJTPOLXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O2S/c1-20-15-7-2-4-11(16(15)18)8-13(19)10-21-14-6-3-5-12(17)9-14/h2-7,9H,8,10H2,1H3.
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one?
1-(2-fluoro-3-methoxyphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one has a molecular weight of 308.35 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methoxyphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one is sourced from PubChem (CID 104793473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).