[4-fluoro-3-(trifluoromethyl)phenyl]-(4-methylsulfanylphenyl)methanone

C15H10F4OS — CID 107288415

IUPAC[4-fluoro-3-(trifluoromethyl)phenyl]-(4-methylsulfanylphenyl)methanone
SMILESCSc1ccc(C(=O)c2ccc(F)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H10F4OS/c1-21-11-5-2-9(3-6-11)14(20)10-4-7-13(16)12(8-10)15(17,18)19/h2-8H,1H3
InChIKeyBLKUKQQKCGICFV-UHFFFAOYSA-N
MW314.30 g/mol
LogP4.80
Rot. Bonds3

About [4-fluoro-3-(trifluoromethyl)phenyl]-(4-methylsulfanylphenyl)methanone

[4-fluoro-3-(trifluoromethyl)phenyl]-(4-methylsulfanylphenyl)methanone (PubChem CID 107288415) has the molecular formula C15H10F4OS and a molecular weight of 314.30 g/mol. Its IUPAC name is [4-fluoro-3-(trifluoromethyl)phenyl]-(4-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name[4-fluoro-3-(trifluoromethyl)phenyl]-(4-methylsulfanylphenyl)methanone
PubChem CID107288415
Molecular FormulaC15H10F4OS
Molecular Weight314.30 g/mol
Exact Mass314.04
IUPAC Name[4-fluoro-3-(trifluoromethyl)phenyl]-(4-methylsulfanylphenyl)methanone
SMILESCSc1ccc(C(=O)c2ccc(F)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H10F4OS/c1-21-11-5-2-9(3-6-11)14(20)10-4-7-13(16)12(8-10)15(17,18)19/h2-8H,1H3
InChIKeyBLKUKQQKCGICFV-UHFFFAOYSA-N
XLogP4.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [4-fluoro-3-(trifluoromethyl)phenyl]-(4-methylsulfanylphenyl)methanone 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

(3-bromo-4-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 107291350
(3,5-difluorophenyl)-(4-methylsulfanylphenyl)methanone
CID 2758307
4-fluoro-3-(trifluoromethyl)benzoate
CID 6921666
bis[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 140930579
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylprop-2-en-1-one
CID 115780906
(4-bromo-2-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 107288351
(4-methylsulfanylphenyl)-(2,4,5-trifluorophenyl)methanone
CID 103693773
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-2-(methylamino)propan-1-one
CID 107290953
1-[4-fluoro-3-(trifluoromethyl)phenyl]but-3-yn-1-one
CID 114961945
(5-bromo-4-methylthiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 79997568
(4-bromo-2-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 107288345
(3-fluoro-5-methylphenyl)-(4-methylsulfanylphenyl)methanone
CID 112694116

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-(trifluoromethyl)phenyl]-(4-methylsulfanylphenyl)methanone?
The IUPAC name of [4-fluoro-3-(trifluoromethyl)phenyl]-(4-methylsulfanylphenyl)methanone (CID 107288415) is [4-fluoro-3-(trifluoromethyl)phenyl]-(4-methylsulfanylphenyl)methanone.
What is the SMILES notation for [4-fluoro-3-(trifluoromethyl)phenyl]-(4-methylsulfanylphenyl)methanone?
The canonical SMILES for [4-fluoro-3-(trifluoromethyl)phenyl]-(4-methylsulfanylphenyl)methanone is CSc1ccc(C(=O)c2ccc(F)c(C(F)(F)F)c2)cc1.
What is the InChIKey of [4-fluoro-3-(trifluoromethyl)phenyl]-(4-methylsulfanylphenyl)methanone?
The InChIKey is BLKUKQQKCGICFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4OS/c1-21-11-5-2-9(3-6-11)14(20)10-4-7-13(16)12(8-10)15(17,18)19/h2-8H,1H3.
What are the key properties of [4-fluoro-3-(trifluoromethyl)phenyl]-(4-methylsulfanylphenyl)methanone?
[4-fluoro-3-(trifluoromethyl)phenyl]-(4-methylsulfanylphenyl)methanone has a molecular weight of 314.30 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-(trifluoromethyl)phenyl]-(4-methylsulfanylphenyl)methanone is sourced from PubChem (CID 107288415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).