(Z)-2-(2-fluoroprop-2-enylideneamino)ethenamine

C5H7FN2 — CID 163721266

IUPAC(Z)-2-(2-fluoroprop-2-enylideneamino)ethenamine
SMILESC=C(F)/C=N/C=C\N
InChIInChI=1S/C5H7FN2/c1-5(6)4-8-3-2-7/h2-4H,1,7H2/b3-2-,8-4+
InChIKeyKRURWOGNQVLORM-SOBRUKQLSA-N
MW114.12 g/mol
LogP0.97
Rot. Bonds2

About (Z)-2-(2-fluoroprop-2-enylideneamino)ethenamine

(Z)-2-(2-fluoroprop-2-enylideneamino)ethenamine (PubChem CID 163721266) has the molecular formula C5H7FN2 and a molecular weight of 114.12 g/mol. Its IUPAC name is (Z)-2-(2-fluoroprop-2-enylideneamino)ethenamine.

Molecular Properties

Compound Name(Z)-2-(2-fluoroprop-2-enylideneamino)ethenamine
PubChem CID163721266
Molecular FormulaC5H7FN2
Molecular Weight114.12 g/mol
Exact Mass114.06
IUPAC Name(Z)-2-(2-fluoroprop-2-enylideneamino)ethenamine
SMILESC=C(F)/C=N/C=C\N
InChIInChI=1S/C5H7FN2/c1-5(6)4-8-3-2-7/h2-4H,1,7H2/b3-2-,8-4+
InChIKeyKRURWOGNQVLORM-SOBRUKQLSA-N
XLogP0.97
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.12
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-2-(2-fluoroprop-2-enylideneamino)ethenamine 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)-2-(2-fluoroprop-2-enylideneamino)ethenamine?
The IUPAC name of (Z)-2-(2-fluoroprop-2-enylideneamino)ethenamine (CID 163721266) is (Z)-2-(2-fluoroprop-2-enylideneamino)ethenamine.
What is the SMILES notation for (Z)-2-(2-fluoroprop-2-enylideneamino)ethenamine?
The canonical SMILES for (Z)-2-(2-fluoroprop-2-enylideneamino)ethenamine is C=C(F)/C=N/C=C\N.
What is the InChIKey of (Z)-2-(2-fluoroprop-2-enylideneamino)ethenamine?
The InChIKey is KRURWOGNQVLORM-SOBRUKQLSA-N. The full InChI is InChI=1S/C5H7FN2/c1-5(6)4-8-3-2-7/h2-4H,1,7H2/b3-2-,8-4+.
What are the key properties of (Z)-2-(2-fluoroprop-2-enylideneamino)ethenamine?
(Z)-2-(2-fluoroprop-2-enylideneamino)ethenamine has a molecular weight of 114.12 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(2-fluoroprop-2-enylideneamino)ethenamine is sourced from PubChem (CID 163721266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).