1-(3,4-difluorophenyl)-2-(2,5-dimethylphenyl)sulfinylethanone

C16H14F2O2S — CID 64637430

IUPAC1-(3,4-difluorophenyl)-2-(2,5-dimethylphenyl)sulfinylethanone
SMILESCc1ccc(C)c(S(=O)CC(=O)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C16H14F2O2S/c1-10-3-4-11(2)16(7-10)21(20)9-15(19)12-5-6-13(17)14(18)8-12/h3-8H,9H2,1-2H3
InChIKeyGEHXPTOGTRJCSZ-UHFFFAOYSA-N
MW308.35 g/mol
LogP3.57
Rot. Bonds4

About 1-(3,4-difluorophenyl)-2-(2,5-dimethylphenyl)sulfinylethanone

1-(3,4-difluorophenyl)-2-(2,5-dimethylphenyl)sulfinylethanone (PubChem CID 64637430) has the molecular formula C16H14F2O2S and a molecular weight of 308.35 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-(2,5-dimethylphenyl)sulfinylethanone.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-(2,5-dimethylphenyl)sulfinylethanone
PubChem CID64637430
Molecular FormulaC16H14F2O2S
Molecular Weight308.35 g/mol
Exact Mass308.07
IUPAC Name1-(3,4-difluorophenyl)-2-(2,5-dimethylphenyl)sulfinylethanone
SMILESCc1ccc(C)c(S(=O)CC(=O)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C16H14F2O2S/c1-10-3-4-11(2)16(7-10)21(20)9-15(19)12-5-6-13(17)14(18)8-12/h3-8H,9H2,1-2H3
InChIKeyGEHXPTOGTRJCSZ-UHFFFAOYSA-N
XLogP3.57
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dimethylphenyl)sulfinyl-1-(3-methylphenyl)ethanone
CID 64637434
1-(4-bromophenyl)-2-(2,5-dimethylphenyl)sulfinylethanone
CID 64637079
1-(4-chlorophenyl)-2-(2,4-dimethylphenyl)sulfinylethanone
CID 64637447
1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)sulfinylethanone
CID 64637654
2-(3,4-difluorophenyl)sulfinyl-1-(3-methylphenyl)ethanone
CID 64638502
2-(2,4-dimethylphenyl)sulfinyl-1-(3-fluorophenyl)ethanone
CID 64637459
2-(2,5-dimethylphenyl)sulfinyl-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 64637254
2-(2,5-dimethylphenyl)sulfinyl-1-thiophen-2-ylethanone
CID 64637062
(3,4-difluorophenyl)-(2,5-dimethylphenyl)methanone
CID 43337256
1-(3,4-difluorophenyl)-2-(3-methylphenyl)ethanone
CID 60797589
2-(2,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone
CID 55186589
1-(2,4-dimethylphenyl)-2-(2-methylphenyl)sulfinylethanone
CID 64639745

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-(2,5-dimethylphenyl)sulfinylethanone?
The IUPAC name of 1-(3,4-difluorophenyl)-2-(2,5-dimethylphenyl)sulfinylethanone (CID 64637430) is 1-(3,4-difluorophenyl)-2-(2,5-dimethylphenyl)sulfinylethanone.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-(2,5-dimethylphenyl)sulfinylethanone?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-(2,5-dimethylphenyl)sulfinylethanone is Cc1ccc(C)c(S(=O)CC(=O)c2ccc(F)c(F)c2)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-(2,5-dimethylphenyl)sulfinylethanone?
The InChIKey is GEHXPTOGTRJCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O2S/c1-10-3-4-11(2)16(7-10)21(20)9-15(19)12-5-6-13(17)14(18)8-12/h3-8H,9H2,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-(2,5-dimethylphenyl)sulfinylethanone?
1-(3,4-difluorophenyl)-2-(2,5-dimethylphenyl)sulfinylethanone has a molecular weight of 308.35 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-(2,5-dimethylphenyl)sulfinylethanone is sourced from PubChem (CID 64637430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).