1-(5-fluoropent-1-ynyl)cyclohexene

C11H15F — CID 90907558

IUPAC1-(5-fluoropent-1-ynyl)cyclohexene
SMILESFCCCC#CC1=CCCCC1
InChIInChI=1S/C11H15F/c12-10-6-2-5-9-11-7-3-1-4-8-11/h7H,1-4,6,8,10H2
InChIKeyDXCDHGFHRVAWQS-UHFFFAOYSA-N
MW166.24 g/mol
LogP3.24
Rot. Bonds2

About 1-(5-fluoropent-1-ynyl)cyclohexene

1-(5-fluoropent-1-ynyl)cyclohexene (PubChem CID 90907558) has the molecular formula C11H15F and a molecular weight of 166.24 g/mol. Its IUPAC name is 1-(5-fluoropent-1-ynyl)cyclohexene.

Molecular Properties

Compound Name1-(5-fluoropent-1-ynyl)cyclohexene
PubChem CID90907558
Molecular FormulaC11H15F
Molecular Weight166.24 g/mol
Exact Mass166.12
IUPAC Name1-(5-fluoropent-1-ynyl)cyclohexene
SMILESFCCCC#CC1=CCCCC1
InChIInChI=1S/C11H15F/c12-10-6-2-5-9-11-7-3-1-4-8-11/h7H,1-4,6,8,10H2
InChIKeyDXCDHGFHRVAWQS-UHFFFAOYSA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.24
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoropent-1-ynyl)cyclohexene?
The IUPAC name of 1-(5-fluoropent-1-ynyl)cyclohexene (CID 90907558) is 1-(5-fluoropent-1-ynyl)cyclohexene.
What is the SMILES notation for 1-(5-fluoropent-1-ynyl)cyclohexene?
The canonical SMILES for 1-(5-fluoropent-1-ynyl)cyclohexene is FCCCC#CC1=CCCCC1.
What is the InChIKey of 1-(5-fluoropent-1-ynyl)cyclohexene?
The InChIKey is DXCDHGFHRVAWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F/c12-10-6-2-5-9-11-7-3-1-4-8-11/h7H,1-4,6,8,10H2.
What are the key properties of 1-(5-fluoropent-1-ynyl)cyclohexene?
1-(5-fluoropent-1-ynyl)cyclohexene has a molecular weight of 166.24 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoropent-1-ynyl)cyclohexene is sourced from PubChem (CID 90907558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).