phenyl-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methanone

C18H11F3OS — CID 135016793

IUPACphenyl-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methanone
SMILESO=C(c1ccccc1)c1ccc(-c2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C18H11F3OS/c19-18(20,21)14-8-4-7-13(11-14)15-9-10-16(23-15)17(22)12-5-2-1-3-6-12/h1-11H
InChIKeyGCHZBWDFMYBCLO-UHFFFAOYSA-N
MW332.35 g/mol
LogP5.66
Rot. Bonds3

About phenyl-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methanone

phenyl-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methanone (PubChem CID 135016793) has the molecular formula C18H11F3OS and a molecular weight of 332.35 g/mol. Its IUPAC name is phenyl-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methanone.

Molecular Properties

Compound Namephenyl-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methanone
PubChem CID135016793
Molecular FormulaC18H11F3OS
Molecular Weight332.35 g/mol
Exact Mass332.05
IUPAC Namephenyl-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methanone
SMILESO=C(c1ccccc1)c1ccc(-c2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C18H11F3OS/c19-18(20,21)14-8-4-7-13(11-14)15-9-10-16(23-15)17(22)12-5-2-1-3-6-12/h1-11H
InChIKeyGCHZBWDFMYBCLO-UHFFFAOYSA-N
XLogP5.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.35
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze phenyl-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]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

phenyl-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone
CID 132564507
[2-amino-5-bromo-4-[3-(trifluoromethyl)phenyl]thiophen-3-yl]-phenylmethanone
CID 10342391
[4-[3-(trifluoromethyl)benzoyl]phenyl]-[3-(trifluoromethyl)phenyl]methanone
CID 162354741
(5-benzoylthiophen-2-yl)-phenylmethanone;boranuide
CID 158491316
N-(2,3-dihydro-1H-inden-1-yl)-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 46082792
N-[(2S)-6-methylheptan-2-yl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 92760464
N-(cycloheptylmethyl)-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 46083086
N-cyclohexyl-N-ethyl-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 46082752
3-[3-(trifluoromethyl)phenyl]benzoate
CID 7021706
(4,5-dibromothiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 80532521
1-(5-pyridin-4-ylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 162208800
3-benzoyl-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one
CID 13201825

Frequently Asked Questions

What is the IUPAC name of phenyl-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methanone?
The IUPAC name of phenyl-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methanone (CID 135016793) is phenyl-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methanone.
What is the SMILES notation for phenyl-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methanone?
The canonical SMILES for phenyl-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methanone is O=C(c1ccccc1)c1ccc(-c2cccc(C(F)(F)F)c2)s1.
What is the InChIKey of phenyl-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methanone?
The InChIKey is GCHZBWDFMYBCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3OS/c19-18(20,21)14-8-4-7-13(11-14)15-9-10-16(23-15)17(22)12-5-2-1-3-6-12/h1-11H.
What are the key properties of phenyl-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methanone?
phenyl-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methanone has a molecular weight of 332.35 g/mol, XLogP of 5.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methanone is sourced from PubChem (CID 135016793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).