N-ethenyl-3-fluorobut-3-en-2-imine

C6H8FN — CID 143330416

IUPACN-ethenyl-3-fluorobut-3-en-2-imine
SMILESC=C/N=C(\C)C(=C)F
InChIInChI=1S/C6H8FN/c1-4-8-6(3)5(2)7/h4H,1-2H2,3H3/b8-6+
InChIKeyJZQFZPIIIBPGCK-SOFGYWHQSA-N
MW113.13 g/mol
LogP2.07
Rot. Bonds2

About N-ethenyl-3-fluorobut-3-en-2-imine

N-ethenyl-3-fluorobut-3-en-2-imine (PubChem CID 143330416) has the molecular formula C6H8FN and a molecular weight of 113.13 g/mol. Its IUPAC name is N-ethenyl-3-fluorobut-3-en-2-imine.

Molecular Properties

Compound NameN-ethenyl-3-fluorobut-3-en-2-imine
PubChem CID143330416
Molecular FormulaC6H8FN
Molecular Weight113.13 g/mol
Exact Mass113.06
IUPAC NameN-ethenyl-3-fluorobut-3-en-2-imine
SMILESC=C/N=C(\C)C(=C)F
InChIInChI=1S/C6H8FN/c1-4-8-6(3)5(2)7/h4H,1-2H2,3H3/b8-6+
InChIKeyJZQFZPIIIBPGCK-SOFGYWHQSA-N
XLogP2.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.13
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-2-fluoroprop-1-enyl]but-3-en-2-imine
CID 89864903
(E)-3-fluoro-2-N-methyl-4-N-methylidenebut-3-ene-2,4-diimine
CID 123588566
(Z)-4-N-methylidene-2-N-(2,2,2-trifluoroethyl)but-3-ene-2,4-diimine
CID 130413505
N-ethenyl-1,1,1-trifluorobut-3-en-2-imine
CID 134549609
N-ethenyl-1,1-difluorobut-3-en-2-imine
CID 142437258
(Z)-N-(1-fluoroethenyl)but-3-en-2-imine
CID 143794064
N-ethenyl-1-fluorobut-3-en-2-imine
CID 143843932
N-ethenyl-3-(trifluoromethyl)but-3-en-2-imine
CID 144251791
ethane;1,1,1-trifluoro-N-[(Z)-prop-1-enyl]but-3-en-2-imine
CID 145149506
2-(Fluoromethyl)azete
CID 145329709
N-[(Z)-but-1-enyl]-1,1,1-trifluoropropan-2-imine
CID 156570955
(Z)-N-[(E)-2-fluoroethenyl]pent-3-en-2-imine
CID 166865306

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-3-fluorobut-3-en-2-imine?
The IUPAC name of N-ethenyl-3-fluorobut-3-en-2-imine (CID 143330416) is N-ethenyl-3-fluorobut-3-en-2-imine.
What is the SMILES notation for N-ethenyl-3-fluorobut-3-en-2-imine?
The canonical SMILES for N-ethenyl-3-fluorobut-3-en-2-imine is C=C/N=C(\C)C(=C)F.
What is the InChIKey of N-ethenyl-3-fluorobut-3-en-2-imine?
The InChIKey is JZQFZPIIIBPGCK-SOFGYWHQSA-N. The full InChI is InChI=1S/C6H8FN/c1-4-8-6(3)5(2)7/h4H,1-2H2,3H3/b8-6+.
What are the key properties of N-ethenyl-3-fluorobut-3-en-2-imine?
N-ethenyl-3-fluorobut-3-en-2-imine has a molecular weight of 113.13 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-3-fluorobut-3-en-2-imine is sourced from PubChem (CID 143330416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).