(Z,3E)-3-(1-fluoroethylimino)-2-methylprop-1-en-1-amine

C6H11FN2 — CID 156819096

IUPAC(Z,3E)-3-(1-fluoroethylimino)-2-methylprop-1-en-1-amine
SMILESCC(=C/N)/C=N/C(C)F
InChIInChI=1S/C6H11FN2/c1-5(3-8)4-9-6(2)7/h3-4,6H,8H2,1-2H3/b5-3-,9-4+
InChIKeyMUMDALIFKJZAPO-LWUTYWFWSA-N
MW130.17 g/mol
LogP1.24
Rot. Bonds2

About (Z,3E)-3-(1-fluoroethylimino)-2-methylprop-1-en-1-amine

(Z,3E)-3-(1-fluoroethylimino)-2-methylprop-1-en-1-amine (PubChem CID 156819096) has the molecular formula C6H11FN2 and a molecular weight of 130.17 g/mol. Its IUPAC name is (Z,3E)-3-(1-fluoroethylimino)-2-methylprop-1-en-1-amine.

Molecular Properties

Compound Name(Z,3E)-3-(1-fluoroethylimino)-2-methylprop-1-en-1-amine
PubChem CID156819096
Molecular FormulaC6H11FN2
Molecular Weight130.17 g/mol
Exact Mass130.09
IUPAC Name(Z,3E)-3-(1-fluoroethylimino)-2-methylprop-1-en-1-amine
SMILESCC(=C/N)/C=N/C(C)F
InChIInChI=1S/C6H11FN2/c1-5(3-8)4-9-6(2)7/h3-4,6H,8H2,1-2H3/b5-3-,9-4+
InChIKeyMUMDALIFKJZAPO-LWUTYWFWSA-N
XLogP1.24
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z,3E)-3-(1-fluoroethylimino)-2-methylprop-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 (Z,3E)-3-(1-fluoroethylimino)-2-methylprop-1-en-1-amine?
The IUPAC name of (Z,3E)-3-(1-fluoroethylimino)-2-methylprop-1-en-1-amine (CID 156819096) is (Z,3E)-3-(1-fluoroethylimino)-2-methylprop-1-en-1-amine.
What is the SMILES notation for (Z,3E)-3-(1-fluoroethylimino)-2-methylprop-1-en-1-amine?
The canonical SMILES for (Z,3E)-3-(1-fluoroethylimino)-2-methylprop-1-en-1-amine is CC(=C/N)/C=N/C(C)F.
What is the InChIKey of (Z,3E)-3-(1-fluoroethylimino)-2-methylprop-1-en-1-amine?
The InChIKey is MUMDALIFKJZAPO-LWUTYWFWSA-N. The full InChI is InChI=1S/C6H11FN2/c1-5(3-8)4-9-6(2)7/h3-4,6H,8H2,1-2H3/b5-3-,9-4+.
What are the key properties of (Z,3E)-3-(1-fluoroethylimino)-2-methylprop-1-en-1-amine?
(Z,3E)-3-(1-fluoroethylimino)-2-methylprop-1-en-1-amine has a molecular weight of 130.17 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3E)-3-(1-fluoroethylimino)-2-methylprop-1-en-1-amine is sourced from PubChem (CID 156819096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).