1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-propylpentan-1-one

C15H18F4O — CID 146008841

IUPAC1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-propylpentan-1-one
SMILESCCCC(CCC)C(=O)c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C15H18F4O/c1-3-5-10(6-4-2)14(20)12-8-7-11(16)9-13(12)15(17,18)19/h7-10H,3-6H2,1-2H3
InChIKeySQHYTUYFSWQGMJ-UHFFFAOYSA-N
MW290.30 g/mol
LogP5.24
Rot. Bonds6

About 1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-propylpentan-1-one

1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-propylpentan-1-one (PubChem CID 146008841) has the molecular formula C15H18F4O and a molecular weight of 290.30 g/mol. Its IUPAC name is 1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-propylpentan-1-one.

Molecular Properties

Compound Name1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-propylpentan-1-one
PubChem CID146008841
Molecular FormulaC15H18F4O
Molecular Weight290.30 g/mol
Exact Mass290.13
IUPAC Name1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-propylpentan-1-one
SMILESCCCC(CCC)C(=O)c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C15H18F4O/c1-3-5-10(6-4-2)14(20)12-8-7-11(16)9-13(12)15(17,18)19/h7-10H,3-6H2,1-2H3
InChIKeySQHYTUYFSWQGMJ-UHFFFAOYSA-N
XLogP5.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.30
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-1-one
CID 134619728
1-[4-fluoro-2-(trifluoromethyl)phenyl]-2,2-dimethylbutan-1-one
CID 146008829
2-[4-fluoro-2-(trifluoromethyl)phenyl]pentanoic acid
CID 162153300
4-Fluoro-2-(trifluoromethyl)benzoic acid, sodium salt
CID 178187701
tetradecan-5-yl 4-fluoro-2-(trifluoromethyl)benzoate
CID 91731182
2-[[4-fluoro-2-(trifluoromethyl)phenyl]-hydroxymethyl]pentanoic acid
CID 83042561
2-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanone
CID 117115583
1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-(methylamino)ethanone
CID 117108344
(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine
CID 79021125
3-chloro-1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-1-one
CID 134626215
1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpentan-1-ol
CID 107892736
2,2-dimethylpropyl 4-fluoro-2-(trifluoromethyl)benzoate
CID 91730603

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-propylpentan-1-one?
The IUPAC name of 1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-propylpentan-1-one (CID 146008841) is 1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-propylpentan-1-one.
What is the SMILES notation for 1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-propylpentan-1-one?
The canonical SMILES for 1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-propylpentan-1-one is CCCC(CCC)C(=O)c1ccc(F)cc1C(F)(F)F.
What is the InChIKey of 1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-propylpentan-1-one?
The InChIKey is SQHYTUYFSWQGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F4O/c1-3-5-10(6-4-2)14(20)12-8-7-11(16)9-13(12)15(17,18)19/h7-10H,3-6H2,1-2H3.
What are the key properties of 1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-propylpentan-1-one?
1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-propylpentan-1-one has a molecular weight of 290.30 g/mol, XLogP of 5.24, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-propylpentan-1-one is sourced from PubChem (CID 146008841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).