(E)-3,3,3-trifluoro-2-methanimidoylprop-1-en-1-amine

C4H5F3N2 — CID 135251200

IUPAC(E)-3,3,3-trifluoro-2-methanimidoylprop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)C(F)(F)F
InChIInChI=1S/C4H5F3N2/c5-4(6,7)3(1-8)2-9/h1-2,8H,9H2/b3-2+,8-1+
InChIKeyORPQASIAADPQBZ-CTCGMRBFSA-N
MW138.09 g/mol
LogP1.04
Rot. Bonds1

About (E)-3,3,3-trifluoro-2-methanimidoylprop-1-en-1-amine

(E)-3,3,3-trifluoro-2-methanimidoylprop-1-en-1-amine (PubChem CID 135251200) has the molecular formula C4H5F3N2 and a molecular weight of 138.09 g/mol. Its IUPAC name is (E)-3,3,3-trifluoro-2-methanimidoylprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-3,3,3-trifluoro-2-methanimidoylprop-1-en-1-amine
PubChem CID135251200
Molecular FormulaC4H5F3N2
Molecular Weight138.09 g/mol
Exact Mass138.04
IUPAC Name(E)-3,3,3-trifluoro-2-methanimidoylprop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)C(F)(F)F
InChIInChI=1S/C4H5F3N2/c5-4(6,7)3(1-8)2-9/h1-2,8H,9H2/b3-2+,8-1+
InChIKeyORPQASIAADPQBZ-CTCGMRBFSA-N
XLogP1.04
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.09
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3,3,3-trifluoro-2-methanimidoylprop-1-en-1-amine?
The IUPAC name of (E)-3,3,3-trifluoro-2-methanimidoylprop-1-en-1-amine (CID 135251200) is (E)-3,3,3-trifluoro-2-methanimidoylprop-1-en-1-amine.
What is the SMILES notation for (E)-3,3,3-trifluoro-2-methanimidoylprop-1-en-1-amine?
The canonical SMILES for (E)-3,3,3-trifluoro-2-methanimidoylprop-1-en-1-amine is [H]/N=C/C(=C\N)C(F)(F)F.
What is the InChIKey of (E)-3,3,3-trifluoro-2-methanimidoylprop-1-en-1-amine?
The InChIKey is ORPQASIAADPQBZ-CTCGMRBFSA-N. The full InChI is InChI=1S/C4H5F3N2/c5-4(6,7)3(1-8)2-9/h1-2,8H,9H2/b3-2+,8-1+.
What are the key properties of (E)-3,3,3-trifluoro-2-methanimidoylprop-1-en-1-amine?
(E)-3,3,3-trifluoro-2-methanimidoylprop-1-en-1-amine has a molecular weight of 138.09 g/mol, XLogP of 1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,3,3-trifluoro-2-methanimidoylprop-1-en-1-amine is sourced from PubChem (CID 135251200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).