(Z)-6-fluoro-2-methylhept-3-en-1-imine

C8H14FN — CID 88562245

IUPAC(Z)-6-fluoro-2-methylhept-3-en-1-imine
SMILES[H]/N=C/C(C)/C=C\CC(C)F
InChIInChI=1S/C8H14FN/c1-7(6-10)4-3-5-8(2)9/h3-4,6-8,10H,5H2,1-2H3/b4-3-,10-6+
InChIKeyPGYQKUBFAAKRAO-GEEJUIKGSA-N
MW143.20 g/mol
LogP2.58
Rot. Bonds4

About (Z)-6-fluoro-2-methylhept-3-en-1-imine

(Z)-6-fluoro-2-methylhept-3-en-1-imine (PubChem CID 88562245) has the molecular formula C8H14FN and a molecular weight of 143.20 g/mol. Its IUPAC name is (Z)-6-fluoro-2-methylhept-3-en-1-imine.

Molecular Properties

Compound Name(Z)-6-fluoro-2-methylhept-3-en-1-imine
PubChem CID88562245
Molecular FormulaC8H14FN
Molecular Weight143.20 g/mol
Exact Mass143.11
IUPAC Name(Z)-6-fluoro-2-methylhept-3-en-1-imine
SMILES[H]/N=C/C(C)/C=C\CC(C)F
InChIInChI=1S/C8H14FN/c1-7(6-10)4-3-5-8(2)9/h3-4,6-8,10H,5H2,1-2H3/b4-3-,10-6+
InChIKeyPGYQKUBFAAKRAO-GEEJUIKGSA-N
XLogP2.58
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.20
LogP ≤ 52.58
H-Bond Donors ≤ 51
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 (Z)-6-fluoro-2-methylhept-3-en-1-imine?
The IUPAC name of (Z)-6-fluoro-2-methylhept-3-en-1-imine (CID 88562245) is (Z)-6-fluoro-2-methylhept-3-en-1-imine.
What is the SMILES notation for (Z)-6-fluoro-2-methylhept-3-en-1-imine?
The canonical SMILES for (Z)-6-fluoro-2-methylhept-3-en-1-imine is [H]/N=C/C(C)/C=C\CC(C)F.
What is the InChIKey of (Z)-6-fluoro-2-methylhept-3-en-1-imine?
The InChIKey is PGYQKUBFAAKRAO-GEEJUIKGSA-N. The full InChI is InChI=1S/C8H14FN/c1-7(6-10)4-3-5-8(2)9/h3-4,6-8,10H,5H2,1-2H3/b4-3-,10-6+.
What are the key properties of (Z)-6-fluoro-2-methylhept-3-en-1-imine?
(Z)-6-fluoro-2-methylhept-3-en-1-imine has a molecular weight of 143.20 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-fluoro-2-methylhept-3-en-1-imine is sourced from PubChem (CID 88562245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).