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

C14H10F4O2S — CID 44590512

IUPAC2-fluoro-4-(4-methylsulfonylphenyl)-1-(trifluoromethyl)benzene
SMILESCS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)c(F)c2)cc1
InChIInChI=1S/C14H10F4O2S/c1-21(19,20)11-5-2-9(3-6-11)10-4-7-12(13(15)8-10)14(16,17)18/h2-8H,1H3
InChIKeyHGZIXINIPHARPS-UHFFFAOYSA-N
MW318.29 g/mol
LogP3.91
Rot. Bonds2

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

2-fluoro-4-(4-methylsulfonylphenyl)-1-(trifluoromethyl)benzene (PubChem CID 44590512) has the molecular formula C14H10F4O2S and a molecular weight of 318.29 g/mol. Its IUPAC name is 2-fluoro-4-(4-methylsulfonylphenyl)-1-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-fluoro-4-(4-methylsulfonylphenyl)-1-(trifluoromethyl)benzene
PubChem CID44590512
Molecular FormulaC14H10F4O2S
Molecular Weight318.29 g/mol
Exact Mass318.03
IUPAC Name2-fluoro-4-(4-methylsulfonylphenyl)-1-(trifluoromethyl)benzene
SMILESCS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)c(F)c2)cc1
InChIInChI=1S/C14H10F4O2S/c1-21(19,20)11-5-2-9(3-6-11)10-4-7-12(13(15)8-10)14(16,17)18/h2-8H,1H3
InChIKeyHGZIXINIPHARPS-UHFFFAOYSA-N
XLogP3.91
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-fluoro-4-(4-methylsulfonylphenyl)-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

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(4-methylsulfonylphenyl)-1-(trifluoromethyl)benzene?
The IUPAC name of 2-fluoro-4-(4-methylsulfonylphenyl)-1-(trifluoromethyl)benzene (CID 44590512) is 2-fluoro-4-(4-methylsulfonylphenyl)-1-(trifluoromethyl)benzene.
What is the SMILES notation for 2-fluoro-4-(4-methylsulfonylphenyl)-1-(trifluoromethyl)benzene?
The canonical SMILES for 2-fluoro-4-(4-methylsulfonylphenyl)-1-(trifluoromethyl)benzene is CS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)c(F)c2)cc1.
What is the InChIKey of 2-fluoro-4-(4-methylsulfonylphenyl)-1-(trifluoromethyl)benzene?
The InChIKey is HGZIXINIPHARPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4O2S/c1-21(19,20)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-methylsulfonylphenyl)-1-(trifluoromethyl)benzene?
2-fluoro-4-(4-methylsulfonylphenyl)-1-(trifluoromethyl)benzene has a molecular weight of 318.29 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(4-methylsulfonylphenyl)-1-(trifluoromethyl)benzene is sourced from PubChem (CID 44590512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).