1-(4-fluorobut-1-ynyl)cyclohexene

C10H13F — CID 90767795

IUPAC1-(4-fluorobut-1-ynyl)cyclohexene
SMILESFCCC#CC1=CCCCC1
InChIInChI=1S/C10H13F/c11-9-5-4-8-10-6-2-1-3-7-10/h6H,1-3,5,7,9H2
InChIKeyVEIQABFIHJSKKY-UHFFFAOYSA-N
MW152.21 g/mol
LogP2.85
Rot. Bonds1

About 1-(4-fluorobut-1-ynyl)cyclohexene

1-(4-fluorobut-1-ynyl)cyclohexene (PubChem CID 90767795) has the molecular formula C10H13F and a molecular weight of 152.21 g/mol. Its IUPAC name is 1-(4-fluorobut-1-ynyl)cyclohexene.

Molecular Properties

Compound Name1-(4-fluorobut-1-ynyl)cyclohexene
PubChem CID90767795
Molecular FormulaC10H13F
Molecular Weight152.21 g/mol
Exact Mass152.10
IUPAC Name1-(4-fluorobut-1-ynyl)cyclohexene
SMILESFCCC#CC1=CCCCC1
InChIInChI=1S/C10H13F/c11-9-5-4-8-10-6-2-1-3-7-10/h6H,1-3,5,7,9H2
InChIKeyVEIQABFIHJSKKY-UHFFFAOYSA-N
XLogP2.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.21
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(4-fluorobut-1-ynyl)cyclohexene 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 1-(4-fluorobut-1-ynyl)cyclohexene?
The IUPAC name of 1-(4-fluorobut-1-ynyl)cyclohexene (CID 90767795) is 1-(4-fluorobut-1-ynyl)cyclohexene.
What is the SMILES notation for 1-(4-fluorobut-1-ynyl)cyclohexene?
The canonical SMILES for 1-(4-fluorobut-1-ynyl)cyclohexene is FCCC#CC1=CCCCC1.
What is the InChIKey of 1-(4-fluorobut-1-ynyl)cyclohexene?
The InChIKey is VEIQABFIHJSKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F/c11-9-5-4-8-10-6-2-1-3-7-10/h6H,1-3,5,7,9H2.
What are the key properties of 1-(4-fluorobut-1-ynyl)cyclohexene?
1-(4-fluorobut-1-ynyl)cyclohexene has a molecular weight of 152.21 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobut-1-ynyl)cyclohexene is sourced from PubChem (CID 90767795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).