(E)-4-fluoro-6-methylhept-4-en-3-imine

C8H14FN — CID 167081424

IUPAC(E)-4-fluoro-6-methylhept-4-en-3-imine
SMILES[H]/N=C(CC)/C(F)=C\C(C)C
InChIInChI=1S/C8H14FN/c1-4-8(10)7(9)5-6(2)3/h5-6,10H,4H2,1-3H3/b7-5+,10-8+
InChIKeyIMNAZQKDPLSQMD-RMTFUQJTSA-N
MW143.21 g/mol
LogP2.93
Rot. Bonds3

About (E)-4-fluoro-6-methylhept-4-en-3-imine

(E)-4-fluoro-6-methylhept-4-en-3-imine (PubChem CID 167081424) has the molecular formula C8H14FN and a molecular weight of 143.21 g/mol. Its IUPAC name is (E)-4-fluoro-6-methylhept-4-en-3-imine.

Molecular Properties

Compound Name(E)-4-fluoro-6-methylhept-4-en-3-imine
PubChem CID167081424
Molecular FormulaC8H14FN
Molecular Weight143.21 g/mol
Exact Mass143.11
IUPAC Name(E)-4-fluoro-6-methylhept-4-en-3-imine
SMILES[H]/N=C(CC)/C(F)=C\C(C)C
InChIInChI=1S/C8H14FN/c1-4-8(10)7(9)5-6(2)3/h5-6,10H,4H2,1-3H3/b7-5+,10-8+
InChIKeyIMNAZQKDPLSQMD-RMTFUQJTSA-N
XLogP2.93
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-fluoro-6-methylhept-4-en-3-imine?
The IUPAC name of (E)-4-fluoro-6-methylhept-4-en-3-imine (CID 167081424) is (E)-4-fluoro-6-methylhept-4-en-3-imine.
What is the SMILES notation for (E)-4-fluoro-6-methylhept-4-en-3-imine?
The canonical SMILES for (E)-4-fluoro-6-methylhept-4-en-3-imine is [H]/N=C(CC)/C(F)=C\C(C)C.
What is the InChIKey of (E)-4-fluoro-6-methylhept-4-en-3-imine?
The InChIKey is IMNAZQKDPLSQMD-RMTFUQJTSA-N. The full InChI is InChI=1S/C8H14FN/c1-4-8(10)7(9)5-6(2)3/h5-6,10H,4H2,1-3H3/b7-5+,10-8+.
What are the key properties of (E)-4-fluoro-6-methylhept-4-en-3-imine?
(E)-4-fluoro-6-methylhept-4-en-3-imine has a molecular weight of 143.21 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-fluoro-6-methylhept-4-en-3-imine is sourced from PubChem (CID 167081424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).