2-amino-1-cyclopropyl-3,3,3-trifluoro-2-methylpropan-1-one

C7H10F3NO — CID 116593117

IUPAC2-amino-1-cyclopropyl-3,3,3-trifluoro-2-methylpropan-1-one
SMILESCC(N)(C(=O)C1CC1)C(F)(F)F
InChIInChI=1S/C7H10F3NO/c1-6(11,7(8,9)10)5(12)4-2-3-4/h4H,2-3,11H2,1H3
InChIKeyUQUCDVMCUCWEHM-UHFFFAOYSA-N
MW181.16 g/mol
LogP1.25
Rot. Bonds2

About 2-amino-1-cyclopropyl-3,3,3-trifluoro-2-methylpropan-1-one

2-amino-1-cyclopropyl-3,3,3-trifluoro-2-methylpropan-1-one (PubChem CID 116593117) has the molecular formula C7H10F3NO and a molecular weight of 181.16 g/mol. Its IUPAC name is 2-amino-1-cyclopropyl-3,3,3-trifluoro-2-methylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-cyclopropyl-3,3,3-trifluoro-2-methylpropan-1-one
PubChem CID116593117
Molecular FormulaC7H10F3NO
Molecular Weight181.16 g/mol
Exact Mass181.07
IUPAC Name2-amino-1-cyclopropyl-3,3,3-trifluoro-2-methylpropan-1-one
SMILESCC(N)(C(=O)C1CC1)C(F)(F)F
InChIInChI=1S/C7H10F3NO/c1-6(11,7(8,9)10)5(12)4-2-3-4/h4H,2-3,11H2,1H3
InChIKeyUQUCDVMCUCWEHM-UHFFFAOYSA-N
XLogP1.25
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-cyclopropyl-3,3,3-trifluoro-2-methylpropan-1-one?
The IUPAC name of 2-amino-1-cyclopropyl-3,3,3-trifluoro-2-methylpropan-1-one (CID 116593117) is 2-amino-1-cyclopropyl-3,3,3-trifluoro-2-methylpropan-1-one.
What is the SMILES notation for 2-amino-1-cyclopropyl-3,3,3-trifluoro-2-methylpropan-1-one?
The canonical SMILES for 2-amino-1-cyclopropyl-3,3,3-trifluoro-2-methylpropan-1-one is CC(N)(C(=O)C1CC1)C(F)(F)F.
What is the InChIKey of 2-amino-1-cyclopropyl-3,3,3-trifluoro-2-methylpropan-1-one?
The InChIKey is UQUCDVMCUCWEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO/c1-6(11,7(8,9)10)5(12)4-2-3-4/h4H,2-3,11H2,1H3.
What are the key properties of 2-amino-1-cyclopropyl-3,3,3-trifluoro-2-methylpropan-1-one?
2-amino-1-cyclopropyl-3,3,3-trifluoro-2-methylpropan-1-one has a molecular weight of 181.16 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-cyclopropyl-3,3,3-trifluoro-2-methylpropan-1-one is sourced from PubChem (CID 116593117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).