1-[3-methoxy-2-(trifluoromethyl)phenyl]propan-1-one

C11H11F3O2 — CID 134627051

IUPAC1-[3-methoxy-2-(trifluoromethyl)phenyl]propan-1-one
SMILESCCC(=O)c1cccc(OC)c1C(F)(F)F
InChIInChI=1S/C11H11F3O2/c1-3-8(15)7-5-4-6-9(16-2)10(7)11(12,13)14/h4-6H,3H2,1-2H3
InChIKeyDNJCHRNCCWGXKP-UHFFFAOYSA-N
MW232.20 g/mol
LogP3.31
Rot. Bonds3

About 1-[3-methoxy-2-(trifluoromethyl)phenyl]propan-1-one

1-[3-methoxy-2-(trifluoromethyl)phenyl]propan-1-one (PubChem CID 134627051) has the molecular formula C11H11F3O2 and a molecular weight of 232.20 g/mol. Its IUPAC name is 1-[3-methoxy-2-(trifluoromethyl)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[3-methoxy-2-(trifluoromethyl)phenyl]propan-1-one
PubChem CID134627051
Molecular FormulaC11H11F3O2
Molecular Weight232.20 g/mol
Exact Mass232.07
IUPAC Name1-[3-methoxy-2-(trifluoromethyl)phenyl]propan-1-one
SMILESCCC(=O)c1cccc(OC)c1C(F)(F)F
InChIInChI=1S/C11H11F3O2/c1-3-8(15)7-5-4-6-9(16-2)10(7)11(12,13)14/h4-6H,3H2,1-2H3
InChIKeyDNJCHRNCCWGXKP-UHFFFAOYSA-N
XLogP3.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[3-methoxy-2-(trifluoromethyl)phenyl]propan-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

2-amino-1-[2-(1,1-difluoroethyl)-3-methoxyphenyl]ethanone
CID 84692542
3-amino-1-[2-(1,1-difluoroethyl)-3-methoxyphenyl]propan-1-one
CID 117359478
(E)-N-ethoxy-1-[3-methoxy-2-(trifluoromethyl)phenyl]ethanimine
CID 88957293
(2-propanoylphenyl) trifluoromethanesulfonate
CID 11448916
1-(3-fluoro-2-methoxyphenyl)propan-1-one
CID 69108587
ethyl 3-methoxy-2-propanoylbenzoate
CID 134642585
1-(2-fluoro-3-methoxyphenyl)-2-methoxy-2-methylbutan-1-one
CID 116746583
3-methoxy-2-(2-methylbutan-2-yl)benzamide
CID 146620823
2-chloro-1-[5-chloro-3-methoxy-2-(trifluoromethyl)phenyl]ethanone
CID 171028469
bis(2-fluoro-3-methoxyphenyl)methanone
CID 70479796
3-methoxy-2-(trifluoromethyl)benzaldehyde
CID 73012639
methyl 2-amino-3-propanoylbenzoate
CID 134648415

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-2-(trifluoromethyl)phenyl]propan-1-one?
The IUPAC name of 1-[3-methoxy-2-(trifluoromethyl)phenyl]propan-1-one (CID 134627051) is 1-[3-methoxy-2-(trifluoromethyl)phenyl]propan-1-one.
What is the SMILES notation for 1-[3-methoxy-2-(trifluoromethyl)phenyl]propan-1-one?
The canonical SMILES for 1-[3-methoxy-2-(trifluoromethyl)phenyl]propan-1-one is CCC(=O)c1cccc(OC)c1C(F)(F)F.
What is the InChIKey of 1-[3-methoxy-2-(trifluoromethyl)phenyl]propan-1-one?
The InChIKey is DNJCHRNCCWGXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O2/c1-3-8(15)7-5-4-6-9(16-2)10(7)11(12,13)14/h4-6H,3H2,1-2H3.
What are the key properties of 1-[3-methoxy-2-(trifluoromethyl)phenyl]propan-1-one?
1-[3-methoxy-2-(trifluoromethyl)phenyl]propan-1-one has a molecular weight of 232.20 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-2-(trifluoromethyl)phenyl]propan-1-one is sourced from PubChem (CID 134627051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).