1-(2-chloro-6-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-one

C15H11ClF2OS — CID 60975295

IUPAC1-(2-chloro-6-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-one
SMILESO=C(CSc1ccc(F)cc1)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H11ClF2OS/c16-14-2-1-3-15(18)13(14)8-11(19)9-20-12-6-4-10(17)5-7-12/h1-7H,8-9H2
InChIKeyNSNGRAFJQJEPLG-UHFFFAOYSA-N
MW312.77 g/mol
LogP4.52
Rot. Bonds5

About 1-(2-chloro-6-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-one

1-(2-chloro-6-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-one (PubChem CID 60975295) has the molecular formula C15H11ClF2OS and a molecular weight of 312.77 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-one.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-one
PubChem CID60975295
Molecular FormulaC15H11ClF2OS
Molecular Weight312.77 g/mol
Exact Mass312.02
IUPAC Name1-(2-chloro-6-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-one
SMILESO=C(CSc1ccc(F)cc1)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H11ClF2OS/c16-14-2-1-3-15(18)13(14)8-11(19)9-20-12-6-4-10(17)5-7-12/h1-7H,8-9H2
InChIKeyNSNGRAFJQJEPLG-UHFFFAOYSA-N
XLogP4.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.77
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-chloro-6-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-chloro-6-fluorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one
CID 60976639
1-(3-bromophenyl)sulfanyl-3-(2-chloro-6-fluorophenyl)propan-2-one
CID 66144716
2-(2-chloro-6-fluorophenyl)-1-(4-ethylsulfanylphenyl)ethanone
CID 106847868
1-(2-chloro-6-fluorophenyl)-3-(3,5-difluorophenyl)propan-2-one
CID 61496497
1-(3-chloro-2-fluorophenyl)-3-phenylsulfanylpropan-2-one
CID 102857203
1-(4-bromophenyl)sulfanyl-3-(2-chloro-3-fluorophenyl)propan-2-one
CID 115983513
1-(2-bromo-5-fluorophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-one
CID 63410030
1-(2-chloro-6-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-one
CID 63411519
5-chloro-1-(2-chloro-6-fluorophenyl)pentan-2-one
CID 66044445
1-(4-bromo-2-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-one
CID 66070129
1-(2-chloro-6-fluorophenyl)-4-ethylhexan-2-one
CID 82920197
1-(3-chlorophenyl)sulfanyl-3-(4-fluorophenyl)propan-2-one
CID 62646475

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-one?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-one (CID 60975295) is 1-(2-chloro-6-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-one.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-one?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-one is O=C(CSc1ccc(F)cc1)Cc1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-one?
The InChIKey is NSNGRAFJQJEPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2OS/c16-14-2-1-3-15(18)13(14)8-11(19)9-20-12-6-4-10(17)5-7-12/h1-7H,8-9H2.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-one?
1-(2-chloro-6-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-one has a molecular weight of 312.77 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-one is sourced from PubChem (CID 60975295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).