1-[3-ethyl-2-methyl-5-(trifluoromethyl)phenyl]ethanone

C12H13F3O — CID 131276925

IUPAC1-[3-ethyl-2-methyl-5-(trifluoromethyl)phenyl]ethanone
SMILESCCc1cc(C(F)(F)F)cc(C(C)=O)c1C
InChIInChI=1S/C12H13F3O/c1-4-9-5-10(12(13,14)15)6-11(7(9)2)8(3)16/h5-6H,4H2,1-3H3
InChIKeyGXOZUFJQCWCSBZ-UHFFFAOYSA-N
MW230.23 g/mol
LogP3.78
Rot. Bonds2

About 1-[3-ethyl-2-methyl-5-(trifluoromethyl)phenyl]ethanone

1-[3-ethyl-2-methyl-5-(trifluoromethyl)phenyl]ethanone (PubChem CID 131276925) has the molecular formula C12H13F3O and a molecular weight of 230.23 g/mol. Its IUPAC name is 1-[3-ethyl-2-methyl-5-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-ethyl-2-methyl-5-(trifluoromethyl)phenyl]ethanone
PubChem CID131276925
Molecular FormulaC12H13F3O
Molecular Weight230.23 g/mol
Exact Mass230.09
IUPAC Name1-[3-ethyl-2-methyl-5-(trifluoromethyl)phenyl]ethanone
SMILESCCc1cc(C(F)(F)F)cc(C(C)=O)c1C
InChIInChI=1S/C12H13F3O/c1-4-9-5-10(12(13,14)15)6-11(7(9)2)8(3)16/h5-6H,4H2,1-3H3
InChIKeyGXOZUFJQCWCSBZ-UHFFFAOYSA-N
XLogP3.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[3-ethyl-2-methyl-5-(trifluoromethyl)phenyl]ethanone 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

1-[3-hydroxy-2-methyl-5-(trifluoromethyl)phenyl]ethanone
CID 171027246
1-[2-amino-3-methyl-5-(trifluoromethyl)phenyl]ethanone
CID 131296470
2-[2,6-diethyl-4-(trifluoromethyl)phenyl]acetic acid
CID 66707586
methyl 3-ethyl-2-fluoro-5-(trifluoromethyl)benzoate
CID 59382635
1-[3-fluoro-2-hydroxy-5-(trifluoromethyl)phenyl]ethanone
CID 171021413
1-[3-ethyl-5-(trifluoromethyl)phenyl]ethanone
CID 146358849
N-[3,5-bis(trifluoromethyl)phenyl]-5-tert-butyl-3-ethyl-2-hydroxybenzamide
CID 87679808
2-methyl-1,3-dipropyl-5-(trifluoromethyl)benzene
CID 142967725
bis[2-methyl-3,5-bis(trifluoromethyl)phenyl]methanone
CID 139698506
1-[3-(difluoromethyl)-2-hydroxy-5-(trifluoromethyl)phenyl]ethanone
CID 171032603
methyl 2-cyano-3-ethyl-5-(trifluoromethyl)benzoate
CID 134647101
2-methyl-3,5-bis(trifluoromethyl)benzoic acid
CID 53430558

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-2-methyl-5-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[3-ethyl-2-methyl-5-(trifluoromethyl)phenyl]ethanone (CID 131276925) is 1-[3-ethyl-2-methyl-5-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[3-ethyl-2-methyl-5-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[3-ethyl-2-methyl-5-(trifluoromethyl)phenyl]ethanone is CCc1cc(C(F)(F)F)cc(C(C)=O)c1C.
What is the InChIKey of 1-[3-ethyl-2-methyl-5-(trifluoromethyl)phenyl]ethanone?
The InChIKey is GXOZUFJQCWCSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3O/c1-4-9-5-10(12(13,14)15)6-11(7(9)2)8(3)16/h5-6H,4H2,1-3H3.
What are the key properties of 1-[3-ethyl-2-methyl-5-(trifluoromethyl)phenyl]ethanone?
1-[3-ethyl-2-methyl-5-(trifluoromethyl)phenyl]ethanone has a molecular weight of 230.23 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-2-methyl-5-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 131276925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).