2-methyl-1-(2,4,6-trifluorophenyl)pentan-1-one

C12H13F3O — CID 43160551

IUPAC2-methyl-1-(2,4,6-trifluorophenyl)pentan-1-one
SMILESCCCC(C)C(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C12H13F3O/c1-3-4-7(2)12(16)11-9(14)5-8(13)6-10(11)15/h5-7H,3-4H2,1-2H3
InChIKeyVYAHHVRTUGCNBK-UHFFFAOYSA-N
MW230.23 g/mol
LogP3.72
Rot. Bonds4

About 2-methyl-1-(2,4,6-trifluorophenyl)pentan-1-one

2-methyl-1-(2,4,6-trifluorophenyl)pentan-1-one (PubChem CID 43160551) has the molecular formula C12H13F3O and a molecular weight of 230.23 g/mol. Its IUPAC name is 2-methyl-1-(2,4,6-trifluorophenyl)pentan-1-one.

Molecular Properties

Compound Name2-methyl-1-(2,4,6-trifluorophenyl)pentan-1-one
PubChem CID43160551
Molecular FormulaC12H13F3O
Molecular Weight230.23 g/mol
Exact Mass230.09
IUPAC Name2-methyl-1-(2,4,6-trifluorophenyl)pentan-1-one
SMILESCCCC(C)C(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C12H13F3O/c1-3-4-7(2)12(16)11-9(14)5-8(13)6-10(11)15/h5-7H,3-4H2,1-2H3
InChIKeyVYAHHVRTUGCNBK-UHFFFAOYSA-N
XLogP3.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,4-difluorophenyl)-2-methylpentanamide
CID 2904798
2-methyl-1-(3,4,5-trihydroxyphenyl)pentan-1-one
CID 166714506
1-(5-fluoro-1-benzothiophen-2-yl)-2-methylpentan-1-one
CID 107891211
1-(2-fluoro-4-methylphenyl)-2-methylpentan-1-one
CID 107891346
1-(4,5-difluoro-2-methoxyphenyl)-2-methylpentan-1-one
CID 146006154
1-(4-chloro-3-fluorophenyl)-2-methylpentan-1-one
CID 107996960
3-amino-1-(2-fluoro-4,6-dimethylphenyl)-2-methylpropan-1-one
CID 106883011
(2S)-2-[(2,4-difluorobenzoyl)amino]pentanoic acid
CID 107564266
1-(2-amino-3-fluorophenyl)-2-methylpentan-1-one
CID 107890280
1-(2-bromo-3,4-difluorophenyl)-2-methylpentan-1-one
CID 107896453
2-(aminomethyl)-1-(3,5-difluorophenyl)pentan-1-one
CID 116574642
(2S)-1-(4-fluorophenyl)-2-(propan-2-ylamino)pentan-1-one
CID 121488314

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2,4,6-trifluorophenyl)pentan-1-one?
The IUPAC name of 2-methyl-1-(2,4,6-trifluorophenyl)pentan-1-one (CID 43160551) is 2-methyl-1-(2,4,6-trifluorophenyl)pentan-1-one.
What is the SMILES notation for 2-methyl-1-(2,4,6-trifluorophenyl)pentan-1-one?
The canonical SMILES for 2-methyl-1-(2,4,6-trifluorophenyl)pentan-1-one is CCCC(C)C(=O)c1c(F)cc(F)cc1F.
What is the InChIKey of 2-methyl-1-(2,4,6-trifluorophenyl)pentan-1-one?
The InChIKey is VYAHHVRTUGCNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3O/c1-3-4-7(2)12(16)11-9(14)5-8(13)6-10(11)15/h5-7H,3-4H2,1-2H3.
What are the key properties of 2-methyl-1-(2,4,6-trifluorophenyl)pentan-1-one?
2-methyl-1-(2,4,6-trifluorophenyl)pentan-1-one has a molecular weight of 230.23 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2,4,6-trifluorophenyl)pentan-1-one is sourced from PubChem (CID 43160551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).