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

C13H13F3O — CID 114971304

IUPAC2-cyclopropyl-1-[2-(trifluoromethyl)phenyl]propan-1-one
SMILESCC(C(=O)c1ccccc1C(F)(F)F)C1CC1
InChIInChI=1S/C13H13F3O/c1-8(9-6-7-9)12(17)10-4-2-3-5-11(10)13(14,15)16/h2-5,8-9H,6-7H2,1H3
InChIKeyZELSWWSSHXSVKA-UHFFFAOYSA-N
MW242.24 g/mol
LogP3.93
Rot. Bonds3

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

2-cyclopropyl-1-[2-(trifluoromethyl)phenyl]propan-1-one (PubChem CID 114971304) has the molecular formula C13H13F3O and a molecular weight of 242.24 g/mol. Its IUPAC name is 2-cyclopropyl-1-[2-(trifluoromethyl)phenyl]propan-1-one.

Molecular Properties

Compound Name2-cyclopropyl-1-[2-(trifluoromethyl)phenyl]propan-1-one
PubChem CID114971304
Molecular FormulaC13H13F3O
Molecular Weight242.24 g/mol
Exact Mass242.09
IUPAC Name2-cyclopropyl-1-[2-(trifluoromethyl)phenyl]propan-1-one
SMILESCC(C(=O)c1ccccc1C(F)(F)F)C1CC1
InChIInChI=1S/C13H13F3O/c1-8(9-6-7-9)12(17)10-4-2-3-5-11(10)13(14,15)16/h2-5,8-9H,6-7H2,1H3
InChIKeyZELSWWSSHXSVKA-UHFFFAOYSA-N
XLogP3.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromophenyl)-2-cyclopropylpropan-1-one
CID 101490237
2-amino-1-[2-(trifluoromethyl)phenyl]propan-1-one;hydrochloride
CID 157105936
tert-butyl 2-[cyclopropyl(hydroxy)methyl]-3-oxo-3-[2-(trifluoromethyl)phenyl]propanoate
CID 139835041
N-[(2S)-2-cyclopropyl-2-hydroxyethyl]-2-(trifluoromethyl)benzamide
CID 95388210
2-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-one
CID 107291229
N-(2-amino-2-cyclopropylethyl)-2-(trifluoromethyl)benzamide
CID 63765171
cyclopropyl-[2-(trifluoromethyl)phenyl]methanone
CID 24724101
1-(4-bromonaphthalen-1-yl)-2-cyclopropylpropan-1-one
CID 83154272
[4-(1-chloroethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 106838854
cyclobutyl-[2-(trifluoromethyl)phenyl]methanone
CID 24724140
cyclopentyl 2-(trifluoromethyl)benzoate
CID 599391
ethyl 2-chloro-3-oxo-3-[2-(trifluoromethyl)phenyl]propanoate
CID 86649590

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[2-(trifluoromethyl)phenyl]propan-1-one?
The IUPAC name of 2-cyclopropyl-1-[2-(trifluoromethyl)phenyl]propan-1-one (CID 114971304) is 2-cyclopropyl-1-[2-(trifluoromethyl)phenyl]propan-1-one.
What is the SMILES notation for 2-cyclopropyl-1-[2-(trifluoromethyl)phenyl]propan-1-one?
The canonical SMILES for 2-cyclopropyl-1-[2-(trifluoromethyl)phenyl]propan-1-one is CC(C(=O)c1ccccc1C(F)(F)F)C1CC1.
What is the InChIKey of 2-cyclopropyl-1-[2-(trifluoromethyl)phenyl]propan-1-one?
The InChIKey is ZELSWWSSHXSVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3O/c1-8(9-6-7-9)12(17)10-4-2-3-5-11(10)13(14,15)16/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 2-cyclopropyl-1-[2-(trifluoromethyl)phenyl]propan-1-one?
2-cyclopropyl-1-[2-(trifluoromethyl)phenyl]propan-1-one has a molecular weight of 242.24 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[2-(trifluoromethyl)phenyl]propan-1-one is sourced from PubChem (CID 114971304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).