1-(2,5-difluorophenyl)-2-(2-methylphenyl)sulfinylethanone

C15H12F2O2S — CID 64638732

IUPAC1-(2,5-difluorophenyl)-2-(2-methylphenyl)sulfinylethanone
SMILESCc1ccccc1S(=O)CC(=O)c1cc(F)ccc1F
InChIInChI=1S/C15H12F2O2S/c1-10-4-2-3-5-15(10)20(19)9-14(18)12-8-11(16)6-7-13(12)17/h2-8H,9H2,1H3
InChIKeyHKHAEXNBMLOWQJ-UHFFFAOYSA-N
MW294.32 g/mol
LogP3.26
Rot. Bonds4

About 1-(2,5-difluorophenyl)-2-(2-methylphenyl)sulfinylethanone

1-(2,5-difluorophenyl)-2-(2-methylphenyl)sulfinylethanone (PubChem CID 64638732) has the molecular formula C15H12F2O2S and a molecular weight of 294.32 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-(2-methylphenyl)sulfinylethanone.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-(2-methylphenyl)sulfinylethanone
PubChem CID64638732
Molecular FormulaC15H12F2O2S
Molecular Weight294.32 g/mol
Exact Mass294.05
IUPAC Name1-(2,5-difluorophenyl)-2-(2-methylphenyl)sulfinylethanone
SMILESCc1ccccc1S(=O)CC(=O)c1cc(F)ccc1F
InChIInChI=1S/C15H12F2O2S/c1-10-4-2-3-5-15(10)20(19)9-14(18)12-8-11(16)6-7-13(12)17/h2-8H,9H2,1H3
InChIKeyHKHAEXNBMLOWQJ-UHFFFAOYSA-N
XLogP3.26
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylphenyl)sulfinyl-1-(2,4,5-trimethylphenyl)ethanone
CID 64638938
2-(2-fluorophenyl)sulfinyl-1-(2-methylphenyl)ethanone
CID 64637840
1-(2,4-dimethylphenyl)-2-(2-methylphenyl)sulfinylethanone
CID 64639745
2-(2,5-difluorophenyl)sulfinyl-1-(2-methoxyphenyl)ethanone
CID 64638325
1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)sulfinylethanone
CID 64640545
2-(4-fluorophenyl)sulfinyl-1-(2-methylphenyl)ethanone
CID 64636301
1-(2-methylphenyl)sulfinylbutan-2-one
CID 64641154
1-(2,5-difluorophenyl)-2-(3,5-dimethylphenyl)ethanone
CID 62802575
1-(2,5-dichlorophenyl)-2-(2,5-difluorophenyl)sulfinylethanone
CID 64641141
1-(4-bromophenyl)-2-(2-methylphenyl)sulfinylethanone
CID 64638337
2,5-difluoro-N-[(2-methylphenyl)methyl]benzamide
CID 30500868
1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)sulfinylethanone
CID 64637654

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-(2-methylphenyl)sulfinylethanone?
The IUPAC name of 1-(2,5-difluorophenyl)-2-(2-methylphenyl)sulfinylethanone (CID 64638732) is 1-(2,5-difluorophenyl)-2-(2-methylphenyl)sulfinylethanone.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-(2-methylphenyl)sulfinylethanone?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-(2-methylphenyl)sulfinylethanone is Cc1ccccc1S(=O)CC(=O)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-(2-methylphenyl)sulfinylethanone?
The InChIKey is HKHAEXNBMLOWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O2S/c1-10-4-2-3-5-15(10)20(19)9-14(18)12-8-11(16)6-7-13(12)17/h2-8H,9H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)-2-(2-methylphenyl)sulfinylethanone?
1-(2,5-difluorophenyl)-2-(2-methylphenyl)sulfinylethanone has a molecular weight of 294.32 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-2-(2-methylphenyl)sulfinylethanone is sourced from PubChem (CID 64638732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).