1-(2-chlorophenyl)-2-(3,4-difluorophenyl)sulfinylethanone

C14H9ClF2O2S — CID 64638298

IUPAC1-(2-chlorophenyl)-2-(3,4-difluorophenyl)sulfinylethanone
SMILESO=C(CS(=O)c1ccc(F)c(F)c1)c1ccccc1Cl
InChIInChI=1S/C14H9ClF2O2S/c15-11-4-2-1-3-10(11)14(18)8-20(19)9-5-6-12(16)13(17)7-9/h1-7H,8H2
InChIKeyXYSGCUWXOYTFKZ-UHFFFAOYSA-N
MW314.74 g/mol
LogP3.61
Rot. Bonds4

About 1-(2-chlorophenyl)-2-(3,4-difluorophenyl)sulfinylethanone

1-(2-chlorophenyl)-2-(3,4-difluorophenyl)sulfinylethanone (PubChem CID 64638298) has the molecular formula C14H9ClF2O2S and a molecular weight of 314.74 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-(3,4-difluorophenyl)sulfinylethanone.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-(3,4-difluorophenyl)sulfinylethanone
PubChem CID64638298
Molecular FormulaC14H9ClF2O2S
Molecular Weight314.74 g/mol
Exact Mass314.00
IUPAC Name1-(2-chlorophenyl)-2-(3,4-difluorophenyl)sulfinylethanone
SMILESO=C(CS(=O)c1ccc(F)c(F)c1)c1ccccc1Cl
InChIInChI=1S/C14H9ClF2O2S/c15-11-4-2-1-3-10(11)14(18)8-20(19)9-5-6-12(16)13(17)7-9/h1-7H,8H2
InChIKeyXYSGCUWXOYTFKZ-UHFFFAOYSA-N
XLogP3.61
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.74
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-difluorophenyl)sulfinyl-1-(3-methylphenyl)ethanone
CID 64638502
1-(3,4-difluorophenyl)sulfinylpentan-2-one
CID 64638301
2-(4-bromophenyl)sulfinyl-1-(2,5-dichlorophenyl)ethanone
CID 64641310
1-(2,4-dichlorophenyl)-2-(2,6-dichlorophenyl)sulfinylethanone
CID 115477694
1-(2,5-dichlorophenyl)-2-(3-methylphenyl)sulfinylethanone
CID 64639371
1-(2,5-dichlorophenyl)-2-(2,5-difluorophenyl)sulfinylethanone
CID 64641141
2-(4-fluorophenyl)sulfinyl-1-(2-methylphenyl)ethanone
CID 64636301
ethyl 2-(3-chloro-4-fluorophenyl)sulfinylacetate
CID 115477193
2-(3-chlorophenyl)sulfinyl-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 64637762
1-(3-chloro-4-fluorophenyl)sulfinyl-3-(4-fluorophenyl)propan-2-one
CID 115477416
1-(2,5-dichlorophenyl)-2-methylsulfinylethanone
CID 64639765
2-chloro-5-[(3,4-difluorophenyl)sulfinylmethyl]aniline
CID 61289028

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-(3,4-difluorophenyl)sulfinylethanone?
The IUPAC name of 1-(2-chlorophenyl)-2-(3,4-difluorophenyl)sulfinylethanone (CID 64638298) is 1-(2-chlorophenyl)-2-(3,4-difluorophenyl)sulfinylethanone.
What is the SMILES notation for 1-(2-chlorophenyl)-2-(3,4-difluorophenyl)sulfinylethanone?
The canonical SMILES for 1-(2-chlorophenyl)-2-(3,4-difluorophenyl)sulfinylethanone is O=C(CS(=O)c1ccc(F)c(F)c1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-(3,4-difluorophenyl)sulfinylethanone?
The InChIKey is XYSGCUWXOYTFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2O2S/c15-11-4-2-1-3-10(11)14(18)8-20(19)9-5-6-12(16)13(17)7-9/h1-7H,8H2.
What are the key properties of 1-(2-chlorophenyl)-2-(3,4-difluorophenyl)sulfinylethanone?
1-(2-chlorophenyl)-2-(3,4-difluorophenyl)sulfinylethanone has a molecular weight of 314.74 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-(3,4-difluorophenyl)sulfinylethanone is sourced from PubChem (CID 64638298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).