2-fluoro-4-(4-methylsulfinylphenyl)-1-(trifluoromethyl)benzene

C14H10F4OS — CID 25184659

IUPAC2-fluoro-4-(4-methylsulfinylphenyl)-1-(trifluoromethyl)benzene
SMILESCS(=O)c1ccc(-c2ccc(C(F)(F)F)c(F)c2)cc1
InChIInChI=1S/C14H10F4OS/c1-20(19)11-5-2-9(3-6-11)10-4-7-12(13(15)8-10)14(16,17)18/h2-8H,1H3
InChIKeyCTFMKGINGJBPHE-UHFFFAOYSA-N
MW302.29 g/mol
LogP4.25
Rot. Bonds2

About 2-fluoro-4-(4-methylsulfinylphenyl)-1-(trifluoromethyl)benzene

2-fluoro-4-(4-methylsulfinylphenyl)-1-(trifluoromethyl)benzene (PubChem CID 25184659) has the molecular formula C14H10F4OS and a molecular weight of 302.29 g/mol. Its IUPAC name is 2-fluoro-4-(4-methylsulfinylphenyl)-1-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-fluoro-4-(4-methylsulfinylphenyl)-1-(trifluoromethyl)benzene
PubChem CID25184659
Molecular FormulaC14H10F4OS
Molecular Weight302.29 g/mol
Exact Mass302.04
IUPAC Name2-fluoro-4-(4-methylsulfinylphenyl)-1-(trifluoromethyl)benzene
SMILESCS(=O)c1ccc(-c2ccc(C(F)(F)F)c(F)c2)cc1
InChIInChI=1S/C14H10F4OS/c1-20(19)11-5-2-9(3-6-11)10-4-7-12(13(15)8-10)14(16,17)18/h2-8H,1H3
InChIKeyCTFMKGINGJBPHE-UHFFFAOYSA-N
XLogP4.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-fluoro-4-(4-methylsulfinylphenyl)-1-(trifluoromethyl)benzene 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

SC-57666
CID 443373
3'-Fluoro-4'-(trifluoromethyl)biphenyl-4-sulfonamide
CID 44590437
1-[2-(4-Methylsulfonylphenyl)-1-cyclopentenyl]-4-trifluoromethylbenzene
CID 9947309
1-Methyl-4-[2-(4-methylsulfonylphenyl)-1-cyclopentenyl]benzene
CID 10403254
1-Fluoro-4-((4-methylphenyl)sulphonyl)benzene
CID 74237
4-[2-(4-Fluoro-2-methylphenyl)cyclopent-1-en-1-yl]phenyl methyl sulfone
CID 9945403
1-Fluoro-4-[2-(4-methylsulfonylphenyl)-4,4-di(trifluoromethyl)-1-cyclopentenyl]benzene
CID 10095369
1-[4,4-Di(fluoromethyl)-2-(4-methylsulfonylphenyl)-1-cyclopentenyl]-4-fluorobenzene
CID 10339727
1,2-Difluoro-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)benzene
CID 10546567
1,2-Difluoro-4-(3,4-dimethylphenyl)-5-[4-(methylsulfonyl)phenyl]benzene
CID 10595453
5-(4-Methanesulfonyl-phenyl)-6-(4-trifluoromethyl-phenyl)-spiro[2.4]hept-5-ene
CID 10620528
1,2-Difluoro-4-[2-(4-methanesulfonyl-phenyl)-cyclopent-1-enyl]-benzene
CID 10664448

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(4-methylsulfinylphenyl)-1-(trifluoromethyl)benzene?
The IUPAC name of 2-fluoro-4-(4-methylsulfinylphenyl)-1-(trifluoromethyl)benzene (CID 25184659) is 2-fluoro-4-(4-methylsulfinylphenyl)-1-(trifluoromethyl)benzene.
What is the SMILES notation for 2-fluoro-4-(4-methylsulfinylphenyl)-1-(trifluoromethyl)benzene?
The canonical SMILES for 2-fluoro-4-(4-methylsulfinylphenyl)-1-(trifluoromethyl)benzene is CS(=O)c1ccc(-c2ccc(C(F)(F)F)c(F)c2)cc1.
What is the InChIKey of 2-fluoro-4-(4-methylsulfinylphenyl)-1-(trifluoromethyl)benzene?
The InChIKey is CTFMKGINGJBPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4OS/c1-20(19)11-5-2-9(3-6-11)10-4-7-12(13(15)8-10)14(16,17)18/h2-8H,1H3.
What are the key properties of 2-fluoro-4-(4-methylsulfinylphenyl)-1-(trifluoromethyl)benzene?
2-fluoro-4-(4-methylsulfinylphenyl)-1-(trifluoromethyl)benzene has a molecular weight of 302.29 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(4-methylsulfinylphenyl)-1-(trifluoromethyl)benzene is sourced from PubChem (CID 25184659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).