N-ethyl-1-fluoro-4-methylpent-4-en-2-imine

C8H14FN — CID 134534231

IUPACN-ethyl-1-fluoro-4-methylpent-4-en-2-imine
SMILESC=C(C)C/C(CF)=N/CC
InChIInChI=1S/C8H14FN/c1-4-10-8(6-9)5-7(2)3/h2,4-6H2,1,3H3/b10-8-
InChIKeyKFDHKNJFCMNQJI-NTMALXAHSA-N
MW143.20 g/mol
LogP2.38
Rot. Bonds4

About N-ethyl-1-fluoro-4-methylpent-4-en-2-imine

N-ethyl-1-fluoro-4-methylpent-4-en-2-imine (PubChem CID 134534231) has the molecular formula C8H14FN and a molecular weight of 143.20 g/mol. Its IUPAC name is N-ethyl-1-fluoro-4-methylpent-4-en-2-imine.

Molecular Properties

Compound NameN-ethyl-1-fluoro-4-methylpent-4-en-2-imine
PubChem CID134534231
Molecular FormulaC8H14FN
Molecular Weight143.20 g/mol
Exact Mass143.11
IUPAC NameN-ethyl-1-fluoro-4-methylpent-4-en-2-imine
SMILESC=C(C)C/C(CF)=N/CC
InChIInChI=1S/C8H14FN/c1-4-10-8(6-9)5-7(2)3/h2,4-6H2,1,3H3/b10-8-
InChIKeyKFDHKNJFCMNQJI-NTMALXAHSA-N
XLogP2.38
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.20
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-fluoro-4-methylpent-4-en-2-imine?
The IUPAC name of N-ethyl-1-fluoro-4-methylpent-4-en-2-imine (CID 134534231) is N-ethyl-1-fluoro-4-methylpent-4-en-2-imine.
What is the SMILES notation for N-ethyl-1-fluoro-4-methylpent-4-en-2-imine?
The canonical SMILES for N-ethyl-1-fluoro-4-methylpent-4-en-2-imine is C=C(C)C/C(CF)=N/CC.
What is the InChIKey of N-ethyl-1-fluoro-4-methylpent-4-en-2-imine?
The InChIKey is KFDHKNJFCMNQJI-NTMALXAHSA-N. The full InChI is InChI=1S/C8H14FN/c1-4-10-8(6-9)5-7(2)3/h2,4-6H2,1,3H3/b10-8-.
What are the key properties of N-ethyl-1-fluoro-4-methylpent-4-en-2-imine?
N-ethyl-1-fluoro-4-methylpent-4-en-2-imine has a molecular weight of 143.20 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-fluoro-4-methylpent-4-en-2-imine is sourced from PubChem (CID 134534231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).