1-(4-chloro-2-fluorophenyl)-3-phenylsulfanylpropan-2-one

C15H12ClFOS — CID 114853895

IUPAC1-(4-chloro-2-fluorophenyl)-3-phenylsulfanylpropan-2-one
SMILESO=C(CSc1ccccc1)Cc1ccc(Cl)cc1F
InChIInChI=1S/C15H12ClFOS/c16-12-7-6-11(15(17)9-12)8-13(18)10-19-14-4-2-1-3-5-14/h1-7,9H,8,10H2
InChIKeyBVNIUALDCQDMLN-UHFFFAOYSA-N
MW294.78 g/mol
LogP4.38
Rot. Bonds5

About 1-(4-chloro-2-fluorophenyl)-3-phenylsulfanylpropan-2-one

1-(4-chloro-2-fluorophenyl)-3-phenylsulfanylpropan-2-one (PubChem CID 114853895) has the molecular formula C15H12ClFOS and a molecular weight of 294.78 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-3-phenylsulfanylpropan-2-one.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-3-phenylsulfanylpropan-2-one
PubChem CID114853895
Molecular FormulaC15H12ClFOS
Molecular Weight294.78 g/mol
Exact Mass294.03
IUPAC Name1-(4-chloro-2-fluorophenyl)-3-phenylsulfanylpropan-2-one
SMILESO=C(CSc1ccccc1)Cc1ccc(Cl)cc1F
InChIInChI=1S/C15H12ClFOS/c16-12-7-6-11(15(17)9-12)8-13(18)10-19-14-4-2-1-3-5-14/h1-7,9H,8,10H2
InChIKeyBVNIUALDCQDMLN-UHFFFAOYSA-N
XLogP4.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Fluorbenside
CID 9836
1-(4-Chlorophenyl)-2-(phenylsulfonyl)ethanone
CID 586971
S-Phenyl p-chlorothiobenzoate
CID 34165
1-(4-Chlorophenyl)-3-(phenylthio)-2-propen-1-one
CID 5653953
(E)-1,3-bis(4-chlorophenyl)-2-[(4-fluorophenyl)methylsulfanyl]prop-2-en-1-one
CID 52949560
trans-4'-Chloro-4-(methylthio)chalcone
CID 5378305
4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-((4-chlorophenyl)methylene)-, (Z)-
CID 5472487
(E)-3-(4-chlorophenyl)sulfonyl-1-(4-fluorophenyl)prop-2-en-1-one
CID 5716697
2-(4-Chloro-3-fluoro-phenyl)-3-(4-methanesulfonyl-phenyl)-cyclopent-2-enone
CID 10642557
S-benzyl 2-(4-chlorophenyl)ethanethioate
CID 42601250
2-((4-Chlorophenyl)thio)-1-phenylethanone
CID 235035
1-(4-Chlorophenyl)-2-[(4-chlorophenyl)sulfanyl]-1-ethanone
CID 2824667

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-phenylsulfanylpropan-2-one?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-phenylsulfanylpropan-2-one (CID 114853895) is 1-(4-chloro-2-fluorophenyl)-3-phenylsulfanylpropan-2-one.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-3-phenylsulfanylpropan-2-one?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-3-phenylsulfanylpropan-2-one is O=C(CSc1ccccc1)Cc1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-3-phenylsulfanylpropan-2-one?
The InChIKey is BVNIUALDCQDMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFOS/c16-12-7-6-11(15(17)9-12)8-13(18)10-19-14-4-2-1-3-5-14/h1-7,9H,8,10H2.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-3-phenylsulfanylpropan-2-one?
1-(4-chloro-2-fluorophenyl)-3-phenylsulfanylpropan-2-one has a molecular weight of 294.78 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-3-phenylsulfanylpropan-2-one is sourced from PubChem (CID 114853895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).