3,3,3-trifluoro-N,N-dimethylprop-1-en-2-amine

C5H8F3N — CID 586956

IUPAC3,3,3-trifluoro-N,N-dimethylprop-1-en-2-amine
SMILESC=C(N(C)C)C(F)(F)F
InChIInChI=1S/C5H8F3N/c1-4(9(2)3)5(6,7)8/h1H2,2-3H3
InChIKeyWNTUIPZBNDWZTK-UHFFFAOYSA-N
MW139.12 g/mol
LogP1.62
Rot. Bonds1

About 3,3,3-trifluoro-N,N-dimethylprop-1-en-2-amine

3,3,3-trifluoro-N,N-dimethylprop-1-en-2-amine (PubChem CID 586956) has the molecular formula C5H8F3N and a molecular weight of 139.12 g/mol. Its IUPAC name is 3,3,3-trifluoro-N,N-dimethylprop-1-en-2-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N,N-dimethylprop-1-en-2-amine
PubChem CID586956
Molecular FormulaC5H8F3N
Molecular Weight139.12 g/mol
Exact Mass139.06
IUPAC Name3,3,3-trifluoro-N,N-dimethylprop-1-en-2-amine
SMILESC=C(N(C)C)C(F)(F)F
InChIInChI=1S/C5H8F3N/c1-4(9(2)3)5(6,7)8/h1H2,2-3H3
InChIKeyWNTUIPZBNDWZTK-UHFFFAOYSA-N
XLogP1.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.12
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,3,3-trifluoro-N,N-dimethylprop-1-en-2-amine 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 3,3,3-trifluoro-N,N-dimethylprop-1-en-2-amine?
The IUPAC name of 3,3,3-trifluoro-N,N-dimethylprop-1-en-2-amine (CID 586956) is 3,3,3-trifluoro-N,N-dimethylprop-1-en-2-amine.
What is the SMILES notation for 3,3,3-trifluoro-N,N-dimethylprop-1-en-2-amine?
The canonical SMILES for 3,3,3-trifluoro-N,N-dimethylprop-1-en-2-amine is C=C(N(C)C)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N,N-dimethylprop-1-en-2-amine?
The InChIKey is WNTUIPZBNDWZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3N/c1-4(9(2)3)5(6,7)8/h1H2,2-3H3.
What are the key properties of 3,3,3-trifluoro-N,N-dimethylprop-1-en-2-amine?
3,3,3-trifluoro-N,N-dimethylprop-1-en-2-amine has a molecular weight of 139.12 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N,N-dimethylprop-1-en-2-amine is sourced from PubChem (CID 586956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).