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

C13H14F3NO — CID 116558577

IUPAC2-amino-2-cyclopropyl-1-[4-(trifluoromethyl)phenyl]propan-1-one
SMILESCC(N)(C(=O)c1ccc(C(F)(F)F)cc1)C1CC1
InChIInChI=1S/C13H14F3NO/c1-12(17,9-6-7-9)11(18)8-2-4-10(5-3-8)13(14,15)16/h2-5,9H,6-7,17H2,1H3
InChIKeyNKRFRGBHGGHVIV-UHFFFAOYSA-N
MW257.25 g/mol
LogP3.02
Rot. Bonds3

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

2-amino-2-cyclopropyl-1-[4-(trifluoromethyl)phenyl]propan-1-one (PubChem CID 116558577) has the molecular formula C13H14F3NO and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-1-[4-(trifluoromethyl)phenyl]propan-1-one.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-1-[4-(trifluoromethyl)phenyl]propan-1-one
PubChem CID116558577
Molecular FormulaC13H14F3NO
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name2-amino-2-cyclopropyl-1-[4-(trifluoromethyl)phenyl]propan-1-one
SMILESCC(N)(C(=O)c1ccc(C(F)(F)F)cc1)C1CC1
InChIInChI=1S/C13H14F3NO/c1-12(17,9-6-7-9)11(18)8-2-4-10(5-3-8)13(14,15)16/h2-5,9H,6-7,17H2,1H3
InChIKeyNKRFRGBHGGHVIV-UHFFFAOYSA-N
XLogP3.02
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-cyclopropyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 60866125
2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]butan-1-one
CID 24724050
2-methyl-2-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]propan-1-one
CID 19878430
2,2-difluoro-1-[4-(trifluoromethyl)phenyl]butane-1,3-dione
CID 141127548
2-hydroxy-1-[4-(trifluoromethyl)phenyl]propan-1-one
CID 10082090
2-amino-2-cyclopropyl-1-(5-methylthiophen-3-yl)propan-1-one
CID 116558651
2,2-dimethoxy-1,3-bis[4-(trifluoromethyl)phenyl]propane-1,3-dione
CID 11560797
2-amino-2-methyl-1-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one
CID 72850239
N-[2-[(1-amino-2-cyclopropylpropan-2-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 119575122
amino 4-(trifluoromethyl)benzoate
CID 23201930
(2S)-2-amino-2-cyclopropylpropanamide
CID 93311323
(1-aminocyclopropyl)-[4-(trifluoromethyl)phenyl]methanone
CID 116576679

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-1-[4-(trifluoromethyl)phenyl]propan-1-one?
The IUPAC name of 2-amino-2-cyclopropyl-1-[4-(trifluoromethyl)phenyl]propan-1-one (CID 116558577) is 2-amino-2-cyclopropyl-1-[4-(trifluoromethyl)phenyl]propan-1-one.
What is the SMILES notation for 2-amino-2-cyclopropyl-1-[4-(trifluoromethyl)phenyl]propan-1-one?
The canonical SMILES for 2-amino-2-cyclopropyl-1-[4-(trifluoromethyl)phenyl]propan-1-one is CC(N)(C(=O)c1ccc(C(F)(F)F)cc1)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-1-[4-(trifluoromethyl)phenyl]propan-1-one?
The InChIKey is NKRFRGBHGGHVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO/c1-12(17,9-6-7-9)11(18)8-2-4-10(5-3-8)13(14,15)16/h2-5,9H,6-7,17H2,1H3.
What are the key properties of 2-amino-2-cyclopropyl-1-[4-(trifluoromethyl)phenyl]propan-1-one?
2-amino-2-cyclopropyl-1-[4-(trifluoromethyl)phenyl]propan-1-one has a molecular weight of 257.25 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-1-[4-(trifluoromethyl)phenyl]propan-1-one is sourced from PubChem (CID 116558577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).