2-methyl-1-[4-(trifluoromethyl)phenyl]pentan-1-one

C13H15F3O — CID 91801769

IUPAC2-methyl-1-[4-(trifluoromethyl)phenyl]pentan-1-one
SMILESCCCC(C)C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H15F3O/c1-3-4-9(2)12(17)10-5-7-11(8-6-10)13(14,15)16/h5-9H,3-4H2,1-2H3
InChIKeyUTXZMCIRIQMTHF-UHFFFAOYSA-N
MW244.26 g/mol
LogP4.32
Rot. Bonds4

About 2-methyl-1-[4-(trifluoromethyl)phenyl]pentan-1-one

2-methyl-1-[4-(trifluoromethyl)phenyl]pentan-1-one (PubChem CID 91801769) has the molecular formula C13H15F3O and a molecular weight of 244.26 g/mol. Its IUPAC name is 2-methyl-1-[4-(trifluoromethyl)phenyl]pentan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-(trifluoromethyl)phenyl]pentan-1-one
PubChem CID91801769
Molecular FormulaC13H15F3O
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC Name2-methyl-1-[4-(trifluoromethyl)phenyl]pentan-1-one
SMILESCCCC(C)C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H15F3O/c1-3-4-9(2)12(17)10-5-7-11(8-6-10)13(14,15)16/h5-9H,3-4H2,1-2H3
InChIKeyUTXZMCIRIQMTHF-UHFFFAOYSA-N
XLogP4.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-methyl-1-[4-(trifluoromethyl)phenyl]pentan-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

1-(4-tert-butylphenyl)-2-methylpentan-1-one
CID 43160032
2-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-1-one
CID 91327387
ethyl 2-methyl-3-oxo-3-[4-(trifluoromethyl)phenyl]propanoate
CID 129319443
2-hydroxy-1-[4-(trifluoromethyl)phenyl]propan-1-one
CID 10082090
2-methyl-3-oxo-3-[4-(trifluoromethyl)phenyl]propanoic acid
CID 53430718
2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 104845048
1-(4-tert-butylphenyl)-2-methylbutan-1-one
CID 13467807
2-methylsulfonyl-1-[4-(trifluoromethyl)phenyl]propan-1-one
CID 114970666
ethyl (3S)-3-methyl-2,4-dioxo-4-[4-(trifluoromethyl)phenyl]butanoate
CID 98044853
2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]butan-1-one
CID 24724050
(2S)-1-(4-fluorophenyl)-2-(propan-2-ylamino)pentan-1-one
CID 121488314
2-[4-(trifluoromethyl)phenyl]pentanoic acid
CID 68887185

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(trifluoromethyl)phenyl]pentan-1-one?
The IUPAC name of 2-methyl-1-[4-(trifluoromethyl)phenyl]pentan-1-one (CID 91801769) is 2-methyl-1-[4-(trifluoromethyl)phenyl]pentan-1-one.
What is the SMILES notation for 2-methyl-1-[4-(trifluoromethyl)phenyl]pentan-1-one?
The canonical SMILES for 2-methyl-1-[4-(trifluoromethyl)phenyl]pentan-1-one is CCCC(C)C(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-methyl-1-[4-(trifluoromethyl)phenyl]pentan-1-one?
The InChIKey is UTXZMCIRIQMTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3O/c1-3-4-9(2)12(17)10-5-7-11(8-6-10)13(14,15)16/h5-9H,3-4H2,1-2H3.
What are the key properties of 2-methyl-1-[4-(trifluoromethyl)phenyl]pentan-1-one?
2-methyl-1-[4-(trifluoromethyl)phenyl]pentan-1-one has a molecular weight of 244.26 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(trifluoromethyl)phenyl]pentan-1-one is sourced from PubChem (CID 91801769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).