1-[4-chloro-2-(trifluoromethyl)phenyl]-2-methoxypropan-1-one

C11H10ClF3O2 — CID 134400354

IUPAC1-[4-chloro-2-(trifluoromethyl)phenyl]-2-methoxypropan-1-one
SMILESCOC(C)C(=O)c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C11H10ClF3O2/c1-6(17-2)10(16)8-4-3-7(12)5-9(8)11(13,14)15/h3-6H,1-2H3
InChIKeyXJBNDNBNNUIHSU-UHFFFAOYSA-N
MW266.65 g/mol
LogP3.58
Rot. Bonds3

About 1-[4-chloro-2-(trifluoromethyl)phenyl]-2-methoxypropan-1-one

1-[4-chloro-2-(trifluoromethyl)phenyl]-2-methoxypropan-1-one (PubChem CID 134400354) has the molecular formula C11H10ClF3O2 and a molecular weight of 266.65 g/mol. Its IUPAC name is 1-[4-chloro-2-(trifluoromethyl)phenyl]-2-methoxypropan-1-one.

Molecular Properties

Compound Name1-[4-chloro-2-(trifluoromethyl)phenyl]-2-methoxypropan-1-one
PubChem CID134400354
Molecular FormulaC11H10ClF3O2
Molecular Weight266.65 g/mol
Exact Mass266.03
IUPAC Name1-[4-chloro-2-(trifluoromethyl)phenyl]-2-methoxypropan-1-one
SMILESCOC(C)C(=O)c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C11H10ClF3O2/c1-6(17-2)10(16)8-4-3-7(12)5-9(8)11(13,14)15/h3-6H,1-2H3
InChIKeyXJBNDNBNNUIHSU-UHFFFAOYSA-N
XLogP3.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.65
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-chloro-2-(trifluoromethyl)phenyl]-2-methoxypropan-1-one 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-chloro-N-methoxy-N-methyl-2-(trifluoromethyl)benzamide
CID 162570663
1-(2,4-dichlorophenyl)-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 43799481
4-chloro-2-(trifluoromethyl)benzamide;dihydrochloride
CID 22563807
2-chloro-1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-1-one
CID 134619728
(2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4-methoxyphenoxy)propanamide
CID 2202420
1-(5-chloro-2-fluorophenyl)-3-methoxybutan-2-one
CID 103048080
N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(2,2-dimethoxyethyl)oxamide
CID 108530055
[1-[4-chloro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 2,4-dimethylbenzoate
CID 55416913
(2S)-2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CID 22690588
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methoxy-2-methylpropanamide
CID 103029050
2-chloro-1-[4-(difluoromethoxy)-2-(trifluoromethyl)phenyl]propan-1-one
CID 134619683
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,6-dimethoxybenzamide
CID 18892483

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(trifluoromethyl)phenyl]-2-methoxypropan-1-one?
The IUPAC name of 1-[4-chloro-2-(trifluoromethyl)phenyl]-2-methoxypropan-1-one (CID 134400354) is 1-[4-chloro-2-(trifluoromethyl)phenyl]-2-methoxypropan-1-one.
What is the SMILES notation for 1-[4-chloro-2-(trifluoromethyl)phenyl]-2-methoxypropan-1-one?
The canonical SMILES for 1-[4-chloro-2-(trifluoromethyl)phenyl]-2-methoxypropan-1-one is COC(C)C(=O)c1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of 1-[4-chloro-2-(trifluoromethyl)phenyl]-2-methoxypropan-1-one?
The InChIKey is XJBNDNBNNUIHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3O2/c1-6(17-2)10(16)8-4-3-7(12)5-9(8)11(13,14)15/h3-6H,1-2H3.
What are the key properties of 1-[4-chloro-2-(trifluoromethyl)phenyl]-2-methoxypropan-1-one?
1-[4-chloro-2-(trifluoromethyl)phenyl]-2-methoxypropan-1-one has a molecular weight of 266.65 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(trifluoromethyl)phenyl]-2-methoxypropan-1-one is sourced from PubChem (CID 134400354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).