(E)-3-ethenylimino-2-fluoroprop-1-en-1-amine

C5H7FN2 — CID 146594000

IUPAC(E)-3-ethenylimino-2-fluoroprop-1-en-1-amine
SMILESC=C/N=C/C(F)=C\N
InChIInChI=1S/C5H7FN2/c1-2-8-4-5(6)3-7/h2-4H,1,7H2/b5-3+,8-4+
InChIKeyYAJGWXJOLXUNGS-MSLMYCKWSA-N
MW114.12 g/mol
LogP0.97
Rot. Bonds2

About (E)-3-ethenylimino-2-fluoroprop-1-en-1-amine

(E)-3-ethenylimino-2-fluoroprop-1-en-1-amine (PubChem CID 146594000) has the molecular formula C5H7FN2 and a molecular weight of 114.12 g/mol. Its IUPAC name is (E)-3-ethenylimino-2-fluoroprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-3-ethenylimino-2-fluoroprop-1-en-1-amine
PubChem CID146594000
Molecular FormulaC5H7FN2
Molecular Weight114.12 g/mol
Exact Mass114.06
IUPAC Name(E)-3-ethenylimino-2-fluoroprop-1-en-1-amine
SMILESC=C/N=C/C(F)=C\N
InChIInChI=1S/C5H7FN2/c1-2-8-4-5(6)3-7/h2-4H,1,7H2/b5-3+,8-4+
InChIKeyYAJGWXJOLXUNGS-MSLMYCKWSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-ethenylimino-2-fluoroprop-1-en-1-amine?
The IUPAC name of (E)-3-ethenylimino-2-fluoroprop-1-en-1-amine (CID 146594000) is (E)-3-ethenylimino-2-fluoroprop-1-en-1-amine.
What is the SMILES notation for (E)-3-ethenylimino-2-fluoroprop-1-en-1-amine?
The canonical SMILES for (E)-3-ethenylimino-2-fluoroprop-1-en-1-amine is C=C/N=C/C(F)=C\N.
What is the InChIKey of (E)-3-ethenylimino-2-fluoroprop-1-en-1-amine?
The InChIKey is YAJGWXJOLXUNGS-MSLMYCKWSA-N. The full InChI is InChI=1S/C5H7FN2/c1-2-8-4-5(6)3-7/h2-4H,1,7H2/b5-3+,8-4+.
What are the key properties of (E)-3-ethenylimino-2-fluoroprop-1-en-1-amine?
(E)-3-ethenylimino-2-fluoroprop-1-en-1-amine 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 (E)-3-ethenylimino-2-fluoroprop-1-en-1-amine is sourced from PubChem (CID 146594000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).