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

C16H14ClFOS — CID 107884016

IUPAC1-(4-chloro-3-fluorophenyl)-3-(4-methylphenyl)sulfanylpropan-2-one
SMILESCc1ccc(SCC(=O)Cc2ccc(Cl)c(F)c2)cc1
InChIInChI=1S/C16H14ClFOS/c1-11-2-5-14(6-3-11)20-10-13(19)8-12-4-7-15(17)16(18)9-12/h2-7,9H,8,10H2,1H3
InChIKeyKUNUQNCUWPBJHL-UHFFFAOYSA-N
MW308.81 g/mol
LogP4.69
Rot. Bonds5

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

1-(4-chloro-3-fluorophenyl)-3-(4-methylphenyl)sulfanylpropan-2-one (PubChem CID 107884016) has the molecular formula C16H14ClFOS and a molecular weight of 308.81 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-3-(4-methylphenyl)sulfanylpropan-2-one.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-3-(4-methylphenyl)sulfanylpropan-2-one
PubChem CID107884016
Molecular FormulaC16H14ClFOS
Molecular Weight308.81 g/mol
Exact Mass308.04
IUPAC Name1-(4-chloro-3-fluorophenyl)-3-(4-methylphenyl)sulfanylpropan-2-one
SMILESCc1ccc(SCC(=O)Cc2ccc(Cl)c(F)c2)cc1
InChIInChI=1S/C16H14ClFOS/c1-11-2-5-14(6-3-11)20-10-13(19)8-12-4-7-15(17)16(18)9-12/h2-7,9H,8,10H2,1H3
InChIKeyKUNUQNCUWPBJHL-UHFFFAOYSA-N
XLogP4.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-difluorophenyl)-3-(4-methylphenyl)sulfanylpropan-2-one
CID 82919520
1-(4-chloro-3-fluorophenyl)-3-(3-chlorophenyl)sulfanylpropan-2-one
CID 107884020
1-(3-methylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-one
CID 66065763
1-(4-chloro-3-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-one
CID 107890911
1-(3-chlorophenyl)sulfanyl-3-(3,4-difluorophenyl)propan-2-one
CID 82920301
2-(4-chloro-3-fluorophenyl)-1-(3,5-dimethylphenyl)ethanone
CID 107890556
1-(3,4-difluorophenyl)-3-(4-methylphenyl)propan-2-one
CID 82920094
1-(3-chloro-4-fluorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-one
CID 103039415
1-(2-bromo-4-methylphenyl)-2-(4-chloro-3-fluorophenyl)ethanone
CID 107890805
1-(3-methylphenyl)-3-phenylsulfanylpropan-2-one
CID 65141813
1-(4-bromophenyl)sulfanyl-3-(3-methylphenyl)propan-2-one
CID 66057251
1-(4-chloro-3-fluorophenyl)-5-methoxypentan-2-one
CID 107883978

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-(4-methylphenyl)sulfanylpropan-2-one?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-(4-methylphenyl)sulfanylpropan-2-one (CID 107884016) is 1-(4-chloro-3-fluorophenyl)-3-(4-methylphenyl)sulfanylpropan-2-one.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-3-(4-methylphenyl)sulfanylpropan-2-one?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-3-(4-methylphenyl)sulfanylpropan-2-one is Cc1ccc(SCC(=O)Cc2ccc(Cl)c(F)c2)cc1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-3-(4-methylphenyl)sulfanylpropan-2-one?
The InChIKey is KUNUQNCUWPBJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFOS/c1-11-2-5-14(6-3-11)20-10-13(19)8-12-4-7-15(17)16(18)9-12/h2-7,9H,8,10H2,1H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-3-(4-methylphenyl)sulfanylpropan-2-one?
1-(4-chloro-3-fluorophenyl)-3-(4-methylphenyl)sulfanylpropan-2-one has a molecular weight of 308.81 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-3-(4-methylphenyl)sulfanylpropan-2-one is sourced from PubChem (CID 107884016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).