(Z)-N-[(E)-1-fluoro-2-methylbut-1-enyl]ethanimine

C7H12FN — CID 143782166

IUPAC(Z)-N-[(E)-1-fluoro-2-methylbut-1-enyl]ethanimine
SMILESC/C=N\C(F)=C(\C)CC
InChIInChI=1S/C7H12FN/c1-4-6(3)7(8)9-5-2/h5H,4H2,1-3H3/b7-6-,9-5-
InChIKeyCOVBEASXQGZMOR-LKDPLPNCSA-N
MW129.18 g/mol
LogP2.69
Rot. Bonds2

About (Z)-N-[(E)-1-fluoro-2-methylbut-1-enyl]ethanimine

(Z)-N-[(E)-1-fluoro-2-methylbut-1-enyl]ethanimine (PubChem CID 143782166) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is (Z)-N-[(E)-1-fluoro-2-methylbut-1-enyl]ethanimine.

Molecular Properties

Compound Name(Z)-N-[(E)-1-fluoro-2-methylbut-1-enyl]ethanimine
PubChem CID143782166
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name(Z)-N-[(E)-1-fluoro-2-methylbut-1-enyl]ethanimine
SMILESC/C=N\C(F)=C(\C)CC
InChIInChI=1S/C7H12FN/c1-4-6(3)7(8)9-5-2/h5H,4H2,1-3H3/b7-6-,9-5-
InChIKeyCOVBEASXQGZMOR-LKDPLPNCSA-N
XLogP2.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 52.69
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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Related Compounds

N-(3,3-difluoro-2-methylbut-1-enyl)ethanimine
CID 123912308
6-Fluoro-5-methyl-3,4-dihydropyridine
CID 143420571
N-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]ethanimine
CID 144826258
(Z)-N-[(1E)-1-fluoro-3-methylbuta-1,3-dienyl]ethanimine
CID 153554227
(Z)-N-(1-fluoro-2-methylprop-1-enyl)ethanimine
CID 143178399
Ethane;6-fluoro-5-methyl-3,4-dihydropyridine
CID 143782199

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(E)-1-fluoro-2-methylbut-1-enyl]ethanimine?
The IUPAC name of (Z)-N-[(E)-1-fluoro-2-methylbut-1-enyl]ethanimine (CID 143782166) is (Z)-N-[(E)-1-fluoro-2-methylbut-1-enyl]ethanimine.
What is the SMILES notation for (Z)-N-[(E)-1-fluoro-2-methylbut-1-enyl]ethanimine?
The canonical SMILES for (Z)-N-[(E)-1-fluoro-2-methylbut-1-enyl]ethanimine is C/C=N\C(F)=C(\C)CC.
What is the InChIKey of (Z)-N-[(E)-1-fluoro-2-methylbut-1-enyl]ethanimine?
The InChIKey is COVBEASXQGZMOR-LKDPLPNCSA-N. The full InChI is InChI=1S/C7H12FN/c1-4-6(3)7(8)9-5-2/h5H,4H2,1-3H3/b7-6-,9-5-.
What are the key properties of (Z)-N-[(E)-1-fluoro-2-methylbut-1-enyl]ethanimine?
(Z)-N-[(E)-1-fluoro-2-methylbut-1-enyl]ethanimine has a molecular weight of 129.18 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(E)-1-fluoro-2-methylbut-1-enyl]ethanimine is sourced from PubChem (CID 143782166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).