2-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-one

C13H12F4O — CID 107291229

IUPAC2-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-one
SMILESCC(C(=O)c1ccc(C(F)(F)F)c(F)c1)C1CC1
InChIInChI=1S/C13H12F4O/c1-7(8-2-3-8)12(18)9-4-5-10(11(14)6-9)13(15,16)17/h4-8H,2-3H2,1H3
InChIKeyGRWQBNFCGKUZDQ-UHFFFAOYSA-N
MW260.23 g/mol
LogP4.07
Rot. Bonds3

About 2-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-one

2-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-one (PubChem CID 107291229) has the molecular formula C13H12F4O and a molecular weight of 260.23 g/mol. Its IUPAC name is 2-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-one.

Molecular Properties

Compound Name2-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-one
PubChem CID107291229
Molecular FormulaC13H12F4O
Molecular Weight260.23 g/mol
Exact Mass260.08
IUPAC Name2-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-one
SMILESCC(C(=O)c1ccc(C(F)(F)F)c(F)c1)C1CC1
InChIInChI=1S/C13H12F4O/c1-7(8-2-3-8)12(18)9-4-5-10(11(14)6-9)13(15,16)17/h4-8H,2-3H2,1H3
InChIKeyGRWQBNFCGKUZDQ-UHFFFAOYSA-N
XLogP4.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.23
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 83153883
bis[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 140930579
2-cyclopropyl-1-[2-(trifluoromethyl)phenyl]propan-1-one
CID 114971304
4-amino-1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutan-1-one
CID 107291093
3-fluoro-4-(trifluoromethyl)benzoyl chloride
CID 2734709
[3-fluoro-4-(trifluoromethyl)phenyl]-(oxan-4-yl)methanone
CID 107288167
2-cyclopropyl-1-(1,3-dihydro-2-benzofuran-5-yl)propan-1-one
CID 83154271
3-cyclopentyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-one
CID 107291308
2-cycloheptyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanone
CID 107291304
[3-fluoro-4-(trifluoromethyl)phenyl]-(thiolan-2-yl)methanone
CID 107288246
2-cyclopropyl-1-(3,4-diethoxyphenyl)propan-1-one
CID 83154555
1-[3-fluoro-4-(trifluoromethyl)phenyl]-4,4-dimethylpentan-1-one
CID 114211394

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-one?
The IUPAC name of 2-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-one (CID 107291229) is 2-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-one.
What is the SMILES notation for 2-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-one?
The canonical SMILES for 2-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-one is CC(C(=O)c1ccc(C(F)(F)F)c(F)c1)C1CC1.
What is the InChIKey of 2-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-one?
The InChIKey is GRWQBNFCGKUZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F4O/c1-7(8-2-3-8)12(18)9-4-5-10(11(14)6-9)13(15,16)17/h4-8H,2-3H2,1H3.
What are the key properties of 2-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-one?
2-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-one has a molecular weight of 260.23 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-one is sourced from PubChem (CID 107291229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).