1-(3-fluoroprop-1-ynyl)cyclohexene

C9H11F — CID 91274378

IUPAC1-(3-fluoroprop-1-ynyl)cyclohexene
SMILESFCC#CC1=CCCCC1
InChIInChI=1S/C9H11F/c10-8-4-7-9-5-2-1-3-6-9/h5H,1-3,6,8H2
InChIKeySQAYBQYDIKJHBM-UHFFFAOYSA-N
MW138.18 g/mol
LogP2.46
Rot. Bonds

About 1-(3-fluoroprop-1-ynyl)cyclohexene

1-(3-fluoroprop-1-ynyl)cyclohexene (PubChem CID 91274378) has the molecular formula C9H11F and a molecular weight of 138.18 g/mol. Its IUPAC name is 1-(3-fluoroprop-1-ynyl)cyclohexene.

Molecular Properties

Compound Name1-(3-fluoroprop-1-ynyl)cyclohexene
PubChem CID91274378
Molecular FormulaC9H11F
Molecular Weight138.18 g/mol
Exact Mass138.08
IUPAC Name1-(3-fluoroprop-1-ynyl)cyclohexene
SMILESFCC#CC1=CCCCC1
InChIInChI=1S/C9H11F/c10-8-4-7-9-5-2-1-3-6-9/h5H,1-3,6,8H2
InChIKeySQAYBQYDIKJHBM-UHFFFAOYSA-N
XLogP2.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.18
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoroprop-1-ynyl)cyclohexene?
The IUPAC name of 1-(3-fluoroprop-1-ynyl)cyclohexene (CID 91274378) is 1-(3-fluoroprop-1-ynyl)cyclohexene.
What is the SMILES notation for 1-(3-fluoroprop-1-ynyl)cyclohexene?
The canonical SMILES for 1-(3-fluoroprop-1-ynyl)cyclohexene is FCC#CC1=CCCCC1.
What is the InChIKey of 1-(3-fluoroprop-1-ynyl)cyclohexene?
The InChIKey is SQAYBQYDIKJHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F/c10-8-4-7-9-5-2-1-3-6-9/h5H,1-3,6,8H2.
What are the key properties of 1-(3-fluoroprop-1-ynyl)cyclohexene?
1-(3-fluoroprop-1-ynyl)cyclohexene has a molecular weight of 138.18 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoroprop-1-ynyl)cyclohexene is sourced from PubChem (CID 91274378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).