(Z,E)-4-fluoro-N-(1-fluoroethenyl)but-3-en-2-imine

C6H7F2N — CID 143838516

IUPAC(Z,E)-4-fluoro-N-(1-fluoroethenyl)but-3-en-2-imine
SMILESC=C(F)/N=C(C)\C=C\F
InChIInChI=1S/C6H7F2N/c1-5(3-4-7)9-6(2)8/h3-4H,2H2,1H3/b4-3+,9-5-
InChIKeyQQEAANUUFFAKMM-BEHOXYOFSA-N
MW131.12 g/mol
LogP2.37
Rot. Bonds2

About (Z,E)-4-fluoro-N-(1-fluoroethenyl)but-3-en-2-imine

(Z,E)-4-fluoro-N-(1-fluoroethenyl)but-3-en-2-imine (PubChem CID 143838516) has the molecular formula C6H7F2N and a molecular weight of 131.12 g/mol. Its IUPAC name is (Z,E)-4-fluoro-N-(1-fluoroethenyl)but-3-en-2-imine.

Molecular Properties

Compound Name(Z,E)-4-fluoro-N-(1-fluoroethenyl)but-3-en-2-imine
PubChem CID143838516
Molecular FormulaC6H7F2N
Molecular Weight131.12 g/mol
Exact Mass131.05
IUPAC Name(Z,E)-4-fluoro-N-(1-fluoroethenyl)but-3-en-2-imine
SMILESC=C(F)/N=C(C)\C=C\F
InChIInChI=1S/C6H7F2N/c1-5(3-4-7)9-6(2)8/h3-4H,2H2,1H3/b4-3+,9-5-
InChIKeyQQEAANUUFFAKMM-BEHOXYOFSA-N
XLogP2.37
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.12
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,E)-4-fluoro-N-(1-fluoroethenyl)but-3-en-2-imine?
The IUPAC name of (Z,E)-4-fluoro-N-(1-fluoroethenyl)but-3-en-2-imine (CID 143838516) is (Z,E)-4-fluoro-N-(1-fluoroethenyl)but-3-en-2-imine.
What is the SMILES notation for (Z,E)-4-fluoro-N-(1-fluoroethenyl)but-3-en-2-imine?
The canonical SMILES for (Z,E)-4-fluoro-N-(1-fluoroethenyl)but-3-en-2-imine is C=C(F)/N=C(C)\C=C\F.
What is the InChIKey of (Z,E)-4-fluoro-N-(1-fluoroethenyl)but-3-en-2-imine?
The InChIKey is QQEAANUUFFAKMM-BEHOXYOFSA-N. The full InChI is InChI=1S/C6H7F2N/c1-5(3-4-7)9-6(2)8/h3-4H,2H2,1H3/b4-3+,9-5-.
What are the key properties of (Z,E)-4-fluoro-N-(1-fluoroethenyl)but-3-en-2-imine?
(Z,E)-4-fluoro-N-(1-fluoroethenyl)but-3-en-2-imine has a molecular weight of 131.12 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,E)-4-fluoro-N-(1-fluoroethenyl)but-3-en-2-imine is sourced from PubChem (CID 143838516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).