thiophen-2-yl-[4-(trifluoromethoxy)phenyl]methanone

C12H7F3O2S — CID 116628410

IUPACthiophen-2-yl-[4-(trifluoromethoxy)phenyl]methanone
SMILESO=C(c1ccc(OC(F)(F)F)cc1)c1cccs1
InChIInChI=1S/C12H7F3O2S/c13-12(14,15)17-9-5-3-8(4-6-9)11(16)10-2-1-7-18-10/h1-7H
InChIKeyVZPYFSLHTOSDAO-UHFFFAOYSA-N
MW272.25 g/mol
LogP3.88
Rot. Bonds3

About thiophen-2-yl-[4-(trifluoromethoxy)phenyl]methanone

thiophen-2-yl-[4-(trifluoromethoxy)phenyl]methanone (PubChem CID 116628410) has the molecular formula C12H7F3O2S and a molecular weight of 272.25 g/mol. Its IUPAC name is thiophen-2-yl-[4-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Namethiophen-2-yl-[4-(trifluoromethoxy)phenyl]methanone
PubChem CID116628410
Molecular FormulaC12H7F3O2S
Molecular Weight272.25 g/mol
Exact Mass272.01
IUPAC Namethiophen-2-yl-[4-(trifluoromethoxy)phenyl]methanone
SMILESO=C(c1ccc(OC(F)(F)F)cc1)c1cccs1
InChIInChI=1S/C12H7F3O2S/c13-12(14,15)17-9-5-3-8(4-6-9)11(16)10-2-1-7-18-10/h1-7H
InChIKeyVZPYFSLHTOSDAO-UHFFFAOYSA-N
XLogP3.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze thiophen-2-yl-[4-(trifluoromethoxy)phenyl]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

[2-hydroxy-5-(trifluoromethoxy)phenyl]-thiophen-2-ylmethanone
CID 58753930
pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride
CID 68682751
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-(thiophene-2-carbonylamino)benzoate
CID 46815244
CID 59303798
CID 59303798
phosphanyl-[4-(trifluoromethoxy)phenyl]methanone
CID 170761962
diphenyl-[4-[4-(thiophene-2-carbonyl)phenoxy]phenyl]sulfanium
CID 140948266
(4-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methanone
CID 3021169
N'-[3-(trifluoromethoxy)benzoyl]thiophene-2-carbohydrazide
CID 25225801
3-oxo-2-thiophen-2-yl-3-[4-(trifluoromethoxy)phenyl]propanenitrile
CID 116628765
4-(trifluoromethoxy)benzoic acid;hydrochloride
CID 70271899
(4-methoxyphenyl)-[2-(thiophene-2-carbonyl)phenyl]methanone
CID 71619058
N-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]thiophene-2-carboxamide
CID 42929714

Frequently Asked Questions

What is the IUPAC name of thiophen-2-yl-[4-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of thiophen-2-yl-[4-(trifluoromethoxy)phenyl]methanone (CID 116628410) is thiophen-2-yl-[4-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for thiophen-2-yl-[4-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for thiophen-2-yl-[4-(trifluoromethoxy)phenyl]methanone is O=C(c1ccc(OC(F)(F)F)cc1)c1cccs1.
What is the InChIKey of thiophen-2-yl-[4-(trifluoromethoxy)phenyl]methanone?
The InChIKey is VZPYFSLHTOSDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3O2S/c13-12(14,15)17-9-5-3-8(4-6-9)11(16)10-2-1-7-18-10/h1-7H.
What are the key properties of thiophen-2-yl-[4-(trifluoromethoxy)phenyl]methanone?
thiophen-2-yl-[4-(trifluoromethoxy)phenyl]methanone has a molecular weight of 272.25 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-2-yl-[4-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 116628410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).