3,3,3-trifluoro-2-(methyliminomethyl)prop-1-en-1-amine

C5H7F3N2 — CID 147515470

IUPAC3,3,3-trifluoro-2-(methyliminomethyl)prop-1-en-1-amine
SMILESC/N=C/C(=CN)C(F)(F)F
InChIInChI=1S/C5H7F3N2/c1-10-3-4(2-9)5(6,7)8/h2-3H,9H2,1H3/b4-2?,10-3+
InChIKeyHFTRNAAKYVPMIT-NGPAXHHMSA-N
MW152.12 g/mol
LogP1.09
Rot. Bonds1

About 3,3,3-trifluoro-2-(methyliminomethyl)prop-1-en-1-amine

3,3,3-trifluoro-2-(methyliminomethyl)prop-1-en-1-amine (PubChem CID 147515470) has the molecular formula C5H7F3N2 and a molecular weight of 152.12 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(methyliminomethyl)prop-1-en-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(methyliminomethyl)prop-1-en-1-amine
PubChem CID147515470
Molecular FormulaC5H7F3N2
Molecular Weight152.12 g/mol
Exact Mass152.06
IUPAC Name3,3,3-trifluoro-2-(methyliminomethyl)prop-1-en-1-amine
SMILESC/N=C/C(=CN)C(F)(F)F
InChIInChI=1S/C5H7F3N2/c1-10-3-4(2-9)5(6,7)8/h2-3H,9H2,1H3/b4-2?,10-3+
InChIKeyHFTRNAAKYVPMIT-NGPAXHHMSA-N
XLogP1.09
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.12
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3,3,3-trifluoro-2-(methyliminomethyl)prop-1-en-1-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-2-(methyliminomethyl)prop-1-en-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-(methyliminomethyl)prop-1-en-1-amine (CID 147515470) is 3,3,3-trifluoro-2-(methyliminomethyl)prop-1-en-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-(methyliminomethyl)prop-1-en-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-(methyliminomethyl)prop-1-en-1-amine is C/N=C/C(=CN)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(methyliminomethyl)prop-1-en-1-amine?
The InChIKey is HFTRNAAKYVPMIT-NGPAXHHMSA-N. The full InChI is InChI=1S/C5H7F3N2/c1-10-3-4(2-9)5(6,7)8/h2-3H,9H2,1H3/b4-2?,10-3+.
What are the key properties of 3,3,3-trifluoro-2-(methyliminomethyl)prop-1-en-1-amine?
3,3,3-trifluoro-2-(methyliminomethyl)prop-1-en-1-amine has a molecular weight of 152.12 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(methyliminomethyl)prop-1-en-1-amine is sourced from PubChem (CID 147515470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).