3-amino-3-ethyl-1,1,1-trifluoropentan-2-one

C7H12F3NO — CID 89045010

IUPAC3-amino-3-ethyl-1,1,1-trifluoropentan-2-one
SMILESCCC(N)(CC)C(=O)C(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-3-6(11,4-2)5(12)7(8,9)10/h3-4,11H2,1-2H3
InChIKeyGSXURSHIPRNSBC-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.64
Rot. Bonds3

About 3-amino-3-ethyl-1,1,1-trifluoropentan-2-one

3-amino-3-ethyl-1,1,1-trifluoropentan-2-one (PubChem CID 89045010) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 3-amino-3-ethyl-1,1,1-trifluoropentan-2-one.

Molecular Properties

Compound Name3-amino-3-ethyl-1,1,1-trifluoropentan-2-one
PubChem CID89045010
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name3-amino-3-ethyl-1,1,1-trifluoropentan-2-one
SMILESCCC(N)(CC)C(=O)C(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-3-6(11,4-2)5(12)7(8,9)10/h3-4,11H2,1-2H3
InChIKeyGSXURSHIPRNSBC-UHFFFAOYSA-N
XLogP1.64
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-amino-3-ethyl-1,1,1-trifluoropentan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-ethyl-1,1,1-trifluoropentan-2-one?
The IUPAC name of 3-amino-3-ethyl-1,1,1-trifluoropentan-2-one (CID 89045010) is 3-amino-3-ethyl-1,1,1-trifluoropentan-2-one.
What is the SMILES notation for 3-amino-3-ethyl-1,1,1-trifluoropentan-2-one?
The canonical SMILES for 3-amino-3-ethyl-1,1,1-trifluoropentan-2-one is CCC(N)(CC)C(=O)C(F)(F)F.
What is the InChIKey of 3-amino-3-ethyl-1,1,1-trifluoropentan-2-one?
The InChIKey is GSXURSHIPRNSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-3-6(11,4-2)5(12)7(8,9)10/h3-4,11H2,1-2H3.
What are the key properties of 3-amino-3-ethyl-1,1,1-trifluoropentan-2-one?
3-amino-3-ethyl-1,1,1-trifluoropentan-2-one has a molecular weight of 183.17 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-ethyl-1,1,1-trifluoropentan-2-one is sourced from PubChem (CID 89045010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).