(5-chlorothiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanone

C12H7ClF2O2S — CID 43338874

IUPAC(5-chlorothiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanone
SMILESO=C(c1ccc(OC(F)F)cc1)c1ccc(Cl)s1
InChIInChI=1S/C12H7ClF2O2S/c13-10-6-5-9(18-10)11(16)7-1-3-8(4-2-7)17-12(14)15/h1-6,12H
InChIKeyORENIHVMZBZCOL-UHFFFAOYSA-N
MW288.70 g/mol
LogP4.23
Rot. Bonds4

About (5-chlorothiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanone

(5-chlorothiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanone (PubChem CID 43338874) has the molecular formula C12H7ClF2O2S and a molecular weight of 288.70 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanone
PubChem CID43338874
Molecular FormulaC12H7ClF2O2S
Molecular Weight288.70 g/mol
Exact Mass287.98
IUPAC Name(5-chlorothiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanone
SMILESO=C(c1ccc(OC(F)F)cc1)c1ccc(Cl)s1
InChIInChI=1S/C12H7ClF2O2S/c13-10-6-5-9(18-10)11(16)7-1-3-8(4-2-7)17-12(14)15/h1-6,12H
InChIKeyORENIHVMZBZCOL-UHFFFAOYSA-N
XLogP4.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.70
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5-chlorothiophen-2-yl)-[4-(difluoromethoxy)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

[4-(difluoromethoxy)phenyl]-(5-ethylthiophen-2-yl)methanone
CID 43160922
5-chloro-N-[(2R)-2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]thiophene-2-carboxamide
CID 95771032
[4-(difluoromethoxy)phenyl]-thiophen-3-ylmethanone
CID 114975163
[4-(difluoromethoxy)phenyl]-(2,5-dimethylthiophen-3-yl)methanone
CID 43339479
[4-(difluoromethoxy)phenyl]-(2,6-difluorophenyl)methanone
CID 114972892
1-(5-chlorothiophen-2-yl)-3-[4-(difluoromethoxy)anilino]-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate
CID 3924927
(E)-1-(5-chlorothiophen-2-yl)-3-(4-propan-2-yloxyphenyl)prop-2-en-1-one
CID 19556949
4-(5-chlorothiophen-2-yl)-3-(difluoromethoxy)benzoic acid
CID 165478667
[4-(difluoromethoxy)phenyl]-(2-methylpyrazol-3-yl)methanone
CID 114972533
N-(2-chloroacetyl)-4-(difluoromethoxy)benzamide
CID 2366971
4-(difluoromethoxy)-N-hydroxybenzenecarboximidoyl chloride
CID 86155021
1-[4-(difluoromethoxy)phenyl]-3-thiophen-2-ylpropane-1,3-dione
CID 18175410

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanone (CID 43338874) is (5-chlorothiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanone is O=C(c1ccc(OC(F)F)cc1)c1ccc(Cl)s1.
What is the InChIKey of (5-chlorothiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanone?
The InChIKey is ORENIHVMZBZCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF2O2S/c13-10-6-5-9(18-10)11(16)7-1-3-8(4-2-7)17-12(14)15/h1-6,12H.
What are the key properties of (5-chlorothiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanone?
(5-chlorothiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanone has a molecular weight of 288.70 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanone is sourced from PubChem (CID 43338874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).