(4-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methanone

C14H8ClF3O2 — CID 3021169

IUPAC(4-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H8ClF3O2/c15-11-5-1-9(2-6-11)13(19)10-3-7-12(8-4-10)20-14(16,17)18/h1-8H
InChIKeyHKXKIYARIGTDNN-UHFFFAOYSA-N
MW300.66 g/mol
LogP4.47
Rot. Bonds3

About (4-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methanone

(4-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methanone (PubChem CID 3021169) has the molecular formula C14H8ClF3O2 and a molecular weight of 300.66 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methanone
PubChem CID3021169
Molecular FormulaC14H8ClF3O2
Molecular Weight300.66 g/mol
Exact Mass300.02
IUPAC Name(4-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H8ClF3O2/c15-11-5-1-9(2-6-11)13(19)10-3-7-12(8-4-10)20-14(16,17)18/h1-8H
InChIKeyHKXKIYARIGTDNN-UHFFFAOYSA-N
XLogP4.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.66
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-chlorophenyl)-[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

pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride
CID 68682751
4-(trifluoromethoxy)benzoic acid;hydrochloride
CID 70271899
(3,4-dimethylphenyl)-[4-(trifluoromethoxy)phenyl]methanone
CID 116628415
2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanal
CID 87686722
2-chloro-2,2-difluoro-1-[4-(trifluoromethoxy)phenyl]ethanone
CID 19915312
(4-chlorophenyl)-[2-propyl-5-(trifluoromethoxy)phenyl]methanone
CID 150676491
CID 59303798
CID 59303798
phosphanyl-[4-(trifluoromethoxy)phenyl]methanone
CID 170761962
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-chlorobenzoate
CID 2444631
(4-amino-2-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methanone
CID 116629442
tert-butyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate
CID 21299693
(2,4-difluorophenyl)-[4-(trifluoromethoxy)phenyl]methanone
CID 116628405

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methanone (CID 3021169) is (4-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methanone is O=C(c1ccc(Cl)cc1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (4-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methanone?
The InChIKey is HKXKIYARIGTDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3O2/c15-11-5-1-9(2-6-11)13(19)10-3-7-12(8-4-10)20-14(16,17)18/h1-8H.
What are the key properties of (4-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methanone?
(4-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methanone has a molecular weight of 300.66 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 3021169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).