1-(3,4-difluorophenyl)-2-(4-fluorophenyl)sulfanylpropan-1-one

C15H11F3OS — CID 43218364

IUPAC1-(3,4-difluorophenyl)-2-(4-fluorophenyl)sulfanylpropan-1-one
SMILESCC(Sc1ccc(F)cc1)C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H11F3OS/c1-9(20-12-5-3-11(16)4-6-12)15(19)10-2-7-13(17)14(18)8-10/h2-9H,1H3
InChIKeyHCNDYEHSFUAHDO-UHFFFAOYSA-N
MW296.31 g/mol
LogP4.47
Rot. Bonds4

About 1-(3,4-difluorophenyl)-2-(4-fluorophenyl)sulfanylpropan-1-one

1-(3,4-difluorophenyl)-2-(4-fluorophenyl)sulfanylpropan-1-one (PubChem CID 43218364) has the molecular formula C15H11F3OS and a molecular weight of 296.31 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-(4-fluorophenyl)sulfanylpropan-1-one.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-(4-fluorophenyl)sulfanylpropan-1-one
PubChem CID43218364
Molecular FormulaC15H11F3OS
Molecular Weight296.31 g/mol
Exact Mass296.05
IUPAC Name1-(3,4-difluorophenyl)-2-(4-fluorophenyl)sulfanylpropan-1-one
SMILESCC(Sc1ccc(F)cc1)C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H11F3OS/c1-9(20-12-5-3-11(16)4-6-12)15(19)10-2-7-13(17)14(18)8-10/h2-9H,1H3
InChIKeyHCNDYEHSFUAHDO-UHFFFAOYSA-N
XLogP4.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-difluorophenyl)-2-(4-methylphenyl)sulfanylpropan-1-one
CID 43218651
2-(3,4-difluorophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one
CID 43224954
2-(4-fluorophenyl)sulfanylpropanoic acid
CID 11820095
N-[4-[2-(3,4-difluorophenyl)sulfanylpropanoyl]phenyl]methanesulfonamide
CID 18199605
2-(4-chlorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-one
CID 43413028
1-(3,4-difluorophenyl)-2-(1-methylimidazol-2-yl)sulfanylpropan-1-one
CID 43412464
2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(3,4-difluorophenyl)propan-1-one
CID 61341373
1-(3,4-difluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylpropan-1-one
CID 62408787
2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-difluorophenyl)propan-1-one
CID 18170027
(2R)-1-(3,4-difluorophenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one
CID 7556476
1-(4-fluorophenyl)-2-(2-fluorophenyl)sulfanylpropan-1-one
CID 43412024
1-(4-chlorophenyl)-2-(2,4-difluorophenyl)sulfanylpropan-1-one
CID 43224788

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-(4-fluorophenyl)sulfanylpropan-1-one?
The IUPAC name of 1-(3,4-difluorophenyl)-2-(4-fluorophenyl)sulfanylpropan-1-one (CID 43218364) is 1-(3,4-difluorophenyl)-2-(4-fluorophenyl)sulfanylpropan-1-one.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-(4-fluorophenyl)sulfanylpropan-1-one?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-(4-fluorophenyl)sulfanylpropan-1-one is CC(Sc1ccc(F)cc1)C(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-(4-fluorophenyl)sulfanylpropan-1-one?
The InChIKey is HCNDYEHSFUAHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3OS/c1-9(20-12-5-3-11(16)4-6-12)15(19)10-2-7-13(17)14(18)8-10/h2-9H,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-(4-fluorophenyl)sulfanylpropan-1-one?
1-(3,4-difluorophenyl)-2-(4-fluorophenyl)sulfanylpropan-1-one has a molecular weight of 296.31 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-(4-fluorophenyl)sulfanylpropan-1-one is sourced from PubChem (CID 43218364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).