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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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).