5-fluoro-1-prop-2-ynylcyclohexene

C9H11F — CID 167287535

IUPAC5-fluoro-1-prop-2-ynylcyclohexene
SMILESC#CCC1=CCCC(F)C1
InChIInChI=1S/C9H11F/c1-2-4-8-5-3-6-9(10)7-8/h1,5,9H,3-4,6-7H2
InChIKeyGHPRUCSRMGHVJT-UHFFFAOYSA-N
MW138.19 g/mol
LogP2.46
Rot. Bonds1

About 5-fluoro-1-prop-2-ynylcyclohexene

5-fluoro-1-prop-2-ynylcyclohexene (PubChem CID 167287535) has the molecular formula C9H11F and a molecular weight of 138.19 g/mol. Its IUPAC name is 5-fluoro-1-prop-2-ynylcyclohexene.

Molecular Properties

Compound Name5-fluoro-1-prop-2-ynylcyclohexene
PubChem CID167287535
Molecular FormulaC9H11F
Molecular Weight138.19 g/mol
Exact Mass138.08
IUPAC Name5-fluoro-1-prop-2-ynylcyclohexene
SMILESC#CCC1=CCCC(F)C1
InChIInChI=1S/C9H11F/c1-2-4-8-5-3-6-9(10)7-8/h1,5,9H,3-4,6-7H2
InChIKeyGHPRUCSRMGHVJT-UHFFFAOYSA-N
XLogP2.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-prop-2-ynylcyclohexene?
The IUPAC name of 5-fluoro-1-prop-2-ynylcyclohexene (CID 167287535) is 5-fluoro-1-prop-2-ynylcyclohexene.
What is the SMILES notation for 5-fluoro-1-prop-2-ynylcyclohexene?
The canonical SMILES for 5-fluoro-1-prop-2-ynylcyclohexene is C#CCC1=CCCC(F)C1.
What is the InChIKey of 5-fluoro-1-prop-2-ynylcyclohexene?
The InChIKey is GHPRUCSRMGHVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F/c1-2-4-8-5-3-6-9(10)7-8/h1,5,9H,3-4,6-7H2.
What are the key properties of 5-fluoro-1-prop-2-ynylcyclohexene?
5-fluoro-1-prop-2-ynylcyclohexene has a molecular weight of 138.19 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-prop-2-ynylcyclohexene is sourced from PubChem (CID 167287535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).