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

C15H12ClFOS — CID 102857203

IUPAC1-(3-chloro-2-fluorophenyl)-3-phenylsulfanylpropan-2-one
SMILESO=C(CSc1ccccc1)Cc1cccc(Cl)c1F
InChIInChI=1S/C15H12ClFOS/c16-14-8-4-5-11(15(14)17)9-12(18)10-19-13-6-2-1-3-7-13/h1-8H,9-10H2
InChIKeyNHJVKIZWSYUNCR-UHFFFAOYSA-N
MW294.78 g/mol
LogP4.38
Rot. Bonds5

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

1-(3-chloro-2-fluorophenyl)-3-phenylsulfanylpropan-2-one (PubChem CID 102857203) has the molecular formula C15H12ClFOS and a molecular weight of 294.78 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-3-phenylsulfanylpropan-2-one.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-3-phenylsulfanylpropan-2-one
PubChem CID102857203
Molecular FormulaC15H12ClFOS
Molecular Weight294.78 g/mol
Exact Mass294.03
IUPAC Name1-(3-chloro-2-fluorophenyl)-3-phenylsulfanylpropan-2-one
SMILESO=C(CSc1ccccc1)Cc1cccc(Cl)c1F
InChIInChI=1S/C15H12ClFOS/c16-14-8-4-5-11(15(14)17)9-12(18)10-19-13-6-2-1-3-7-13/h1-8H,9-10H2
InChIKeyNHJVKIZWSYUNCR-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

1-(3-chloro-2-fluorophenyl)-3-ethylsulfanylpropan-2-one
CID 102857196
1-tert-butylsulfanyl-3-(3-chloro-2-fluorophenyl)propan-2-one
CID 102857199
1-(4-chloro-2-fluorophenyl)-3-phenylsulfanylpropan-2-one
CID 114853895
2-(3-chloro-2-fluorophenyl)acetamide
CID 91291585
1-(2,3-dichlorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one
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1-(4-bromophenyl)sulfanyl-3-(2,3-dichlorophenyl)propan-2-one
CID 107307922
1-(4-bromophenyl)sulfanyl-3-(2-chloro-3-fluorophenyl)propan-2-one
CID 115983513
1-(2-chloro-3-fluorophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one
CID 115983515
1-(2-chloro-6-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-one
CID 60975295
5-chloro-1-(3-chloro-2-fluorophenyl)pentan-2-one
CID 102857222
1-(3-chloro-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-one
CID 82801940
1-(2-chloro-5-fluorophenyl)-3-(3-chloro-2-fluorophenyl)propan-2-one
CID 102617799

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-phenylsulfanylpropan-2-one?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-phenylsulfanylpropan-2-one (CID 102857203) is 1-(3-chloro-2-fluorophenyl)-3-phenylsulfanylpropan-2-one.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-3-phenylsulfanylpropan-2-one?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-3-phenylsulfanylpropan-2-one is O=C(CSc1ccccc1)Cc1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-3-phenylsulfanylpropan-2-one?
The InChIKey is NHJVKIZWSYUNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFOS/c16-14-8-4-5-11(15(14)17)9-12(18)10-19-13-6-2-1-3-7-13/h1-8H,9-10H2.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-3-phenylsulfanylpropan-2-one?
1-(3-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-(3-chloro-2-fluorophenyl)-3-phenylsulfanylpropan-2-one is sourced from PubChem (CID 102857203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).