(Z)-N-(1-fluoroethenyl)-2-methylprop-2-en-1-imine

C6H8FN — CID 143567891

IUPAC(Z)-N-(1-fluoroethenyl)-2-methylprop-2-en-1-imine
SMILESC=C(C)/C=N\C(=C)F
InChIInChI=1S/C6H8FN/c1-5(2)4-8-6(3)7/h4H,1,3H2,2H3/b8-4-
InChIKeyWOZHTEVGWYKAJL-YWEYNIOJSA-N
MW113.13 g/mol
LogP2.07
Rot. Bonds2

About (Z)-N-(1-fluoroethenyl)-2-methylprop-2-en-1-imine

(Z)-N-(1-fluoroethenyl)-2-methylprop-2-en-1-imine (PubChem CID 143567891) has the molecular formula C6H8FN and a molecular weight of 113.13 g/mol. Its IUPAC name is (Z)-N-(1-fluoroethenyl)-2-methylprop-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-(1-fluoroethenyl)-2-methylprop-2-en-1-imine
PubChem CID143567891
Molecular FormulaC6H8FN
Molecular Weight113.13 g/mol
Exact Mass113.06
IUPAC Name(Z)-N-(1-fluoroethenyl)-2-methylprop-2-en-1-imine
SMILESC=C(C)/C=N\C(=C)F
InChIInChI=1S/C6H8FN/c1-5(2)4-8-6(3)7/h4H,1,3H2,2H3/b8-4-
InChIKeyWOZHTEVGWYKAJL-YWEYNIOJSA-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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(1-fluoroethenyl)-2-methylprop-2-en-1-imine?
The IUPAC name of (Z)-N-(1-fluoroethenyl)-2-methylprop-2-en-1-imine (CID 143567891) is (Z)-N-(1-fluoroethenyl)-2-methylprop-2-en-1-imine.
What is the SMILES notation for (Z)-N-(1-fluoroethenyl)-2-methylprop-2-en-1-imine?
The canonical SMILES for (Z)-N-(1-fluoroethenyl)-2-methylprop-2-en-1-imine is C=C(C)/C=N\C(=C)F.
What is the InChIKey of (Z)-N-(1-fluoroethenyl)-2-methylprop-2-en-1-imine?
The InChIKey is WOZHTEVGWYKAJL-YWEYNIOJSA-N. The full InChI is InChI=1S/C6H8FN/c1-5(2)4-8-6(3)7/h4H,1,3H2,2H3/b8-4-.
What are the key properties of (Z)-N-(1-fluoroethenyl)-2-methylprop-2-en-1-imine?
(Z)-N-(1-fluoroethenyl)-2-methylprop-2-en-1-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 (Z)-N-(1-fluoroethenyl)-2-methylprop-2-en-1-imine is sourced from PubChem (CID 143567891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).