3-amino-3-(trifluoromethyl)pentanamide

C6H11F3N2O — CID 83684136

IUPAC3-amino-3-(trifluoromethyl)pentanamide
SMILESCCC(N)(CC(N)=O)C(F)(F)F
InChIInChI=1S/C6H11F3N2O/c1-2-5(11,3-4(10)12)6(7,8)9/h2-3,11H2,1H3,(H2,10,12)
InChIKeyZEEFVMFOWPNLIK-UHFFFAOYSA-N
MW184.16 g/mol
LogP0.53
Rot. Bonds3

About 3-amino-3-(trifluoromethyl)pentanamide

3-amino-3-(trifluoromethyl)pentanamide (PubChem CID 83684136) has the molecular formula C6H11F3N2O and a molecular weight of 184.16 g/mol. Its IUPAC name is 3-amino-3-(trifluoromethyl)pentanamide.

Molecular Properties

Compound Name3-amino-3-(trifluoromethyl)pentanamide
PubChem CID83684136
Molecular FormulaC6H11F3N2O
Molecular Weight184.16 g/mol
Exact Mass184.08
IUPAC Name3-amino-3-(trifluoromethyl)pentanamide
SMILESCCC(N)(CC(N)=O)C(F)(F)F
InChIInChI=1S/C6H11F3N2O/c1-2-5(11,3-4(10)12)6(7,8)9/h2-3,11H2,1H3,(H2,10,12)
InChIKeyZEEFVMFOWPNLIK-UHFFFAOYSA-N
XLogP0.53
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-3-(trifluoromethyl)pentanamide 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-(trifluoromethyl)pentanamide?
The IUPAC name of 3-amino-3-(trifluoromethyl)pentanamide (CID 83684136) is 3-amino-3-(trifluoromethyl)pentanamide.
What is the SMILES notation for 3-amino-3-(trifluoromethyl)pentanamide?
The canonical SMILES for 3-amino-3-(trifluoromethyl)pentanamide is CCC(N)(CC(N)=O)C(F)(F)F.
What is the InChIKey of 3-amino-3-(trifluoromethyl)pentanamide?
The InChIKey is ZEEFVMFOWPNLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O/c1-2-5(11,3-4(10)12)6(7,8)9/h2-3,11H2,1H3,(H2,10,12).
What are the key properties of 3-amino-3-(trifluoromethyl)pentanamide?
3-amino-3-(trifluoromethyl)pentanamide has a molecular weight of 184.16 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(trifluoromethyl)pentanamide is sourced from PubChem (CID 83684136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).