(Z)-1-fluoro-3-methylhept-5-en-1-yne

C8H11F — CID 88582760

IUPAC(Z)-1-fluoro-3-methylhept-5-en-1-yne
SMILESC/C=C\CC(C)C#CF
InChIInChI=1S/C8H11F/c1-3-4-5-8(2)6-7-9/h3-4,8H,5H2,1-2H3/b4-3-
InChIKeyAISWIJRQSDYNEN-ARJAWSKDSA-N
MW126.17 g/mol
LogP2.52
Rot. Bonds2

About (Z)-1-fluoro-3-methylhept-5-en-1-yne

(Z)-1-fluoro-3-methylhept-5-en-1-yne (PubChem CID 88582760) has the molecular formula C8H11F and a molecular weight of 126.17 g/mol. Its IUPAC name is (Z)-1-fluoro-3-methylhept-5-en-1-yne.

Molecular Properties

Compound Name(Z)-1-fluoro-3-methylhept-5-en-1-yne
PubChem CID88582760
Molecular FormulaC8H11F
Molecular Weight126.17 g/mol
Exact Mass126.08
IUPAC Name(Z)-1-fluoro-3-methylhept-5-en-1-yne
SMILESC/C=C\CC(C)C#CF
InChIInChI=1S/C8H11F/c1-3-4-5-8(2)6-7-9/h3-4,8H,5H2,1-2H3/b4-3-
InChIKeyAISWIJRQSDYNEN-ARJAWSKDSA-N
XLogP2.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.17
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (Z)-1-fluoro-3-methylhept-5-en-1-yne with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-1-fluoro-3-methylhept-5-en-1-yne?
The IUPAC name of (Z)-1-fluoro-3-methylhept-5-en-1-yne (CID 88582760) is (Z)-1-fluoro-3-methylhept-5-en-1-yne.
What is the SMILES notation for (Z)-1-fluoro-3-methylhept-5-en-1-yne?
The canonical SMILES for (Z)-1-fluoro-3-methylhept-5-en-1-yne is C/C=C\CC(C)C#CF.
What is the InChIKey of (Z)-1-fluoro-3-methylhept-5-en-1-yne?
The InChIKey is AISWIJRQSDYNEN-ARJAWSKDSA-N. The full InChI is InChI=1S/C8H11F/c1-3-4-5-8(2)6-7-9/h3-4,8H,5H2,1-2H3/b4-3-.
What are the key properties of (Z)-1-fluoro-3-methylhept-5-en-1-yne?
(Z)-1-fluoro-3-methylhept-5-en-1-yne has a molecular weight of 126.17 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-fluoro-3-methylhept-5-en-1-yne is sourced from PubChem (CID 88582760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).