4-fluoro-1-prop-1-ynylcyclohexene

C9H11F — CID 89176326

IUPAC4-fluoro-1-prop-1-ynylcyclohexene
SMILESCC#CC1=CCC(F)CC1
InChIInChI=1S/C9H11F/c1-2-3-8-4-6-9(10)7-5-8/h4,9H,5-7H2,1H3
InChIKeyZCOWZEQEJRYNIW-UHFFFAOYSA-N
MW138.19 g/mol
LogP2.46
Rot. Bonds

About 4-fluoro-1-prop-1-ynylcyclohexene

4-fluoro-1-prop-1-ynylcyclohexene (PubChem CID 89176326) has the molecular formula C9H11F and a molecular weight of 138.19 g/mol. Its IUPAC name is 4-fluoro-1-prop-1-ynylcyclohexene.

Molecular Properties

Compound Name4-fluoro-1-prop-1-ynylcyclohexene
PubChem CID89176326
Molecular FormulaC9H11F
Molecular Weight138.19 g/mol
Exact Mass138.08
IUPAC Name4-fluoro-1-prop-1-ynylcyclohexene
SMILESCC#CC1=CCC(F)CC1
InChIInChI=1S/C9H11F/c1-2-3-8-4-6-9(10)7-5-8/h4,9H,5-7H2,1H3
InChIKeyZCOWZEQEJRYNIW-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 ≤ 500138.19
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 4-fluoro-1-prop-1-ynylcyclohexene?
The IUPAC name of 4-fluoro-1-prop-1-ynylcyclohexene (CID 89176326) is 4-fluoro-1-prop-1-ynylcyclohexene.
What is the SMILES notation for 4-fluoro-1-prop-1-ynylcyclohexene?
The canonical SMILES for 4-fluoro-1-prop-1-ynylcyclohexene is CC#CC1=CCC(F)CC1.
What is the InChIKey of 4-fluoro-1-prop-1-ynylcyclohexene?
The InChIKey is ZCOWZEQEJRYNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F/c1-2-3-8-4-6-9(10)7-5-8/h4,9H,5-7H2,1H3.
What are the key properties of 4-fluoro-1-prop-1-ynylcyclohexene?
4-fluoro-1-prop-1-ynylcyclohexene has a molecular weight of 138.19 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 4-fluoro-1-prop-1-ynylcyclohexene is sourced from PubChem (CID 89176326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).