1-fluoro-4-prop-2-ynylcyclohexane

C9H13F — CID 54432571

IUPAC1-fluoro-4-prop-2-ynylcyclohexane
SMILESC#CCC1CCC(F)CC1
InChIInChI=1S/C9H13F/c1-2-3-8-4-6-9(10)7-5-8/h1,8-9H,3-7H2
InChIKeyQVNMWEAALQMNPO-UHFFFAOYSA-N
MW140.20 g/mol
LogP2.54
Rot. Bonds1

About 1-fluoro-4-prop-2-ynylcyclohexane

1-fluoro-4-prop-2-ynylcyclohexane (PubChem CID 54432571) has the molecular formula C9H13F and a molecular weight of 140.20 g/mol. Its IUPAC name is 1-fluoro-4-prop-2-ynylcyclohexane.

Molecular Properties

Compound Name1-fluoro-4-prop-2-ynylcyclohexane
PubChem CID54432571
Molecular FormulaC9H13F
Molecular Weight140.20 g/mol
Exact Mass140.10
IUPAC Name1-fluoro-4-prop-2-ynylcyclohexane
SMILESC#CCC1CCC(F)CC1
InChIInChI=1S/C9H13F/c1-2-3-8-4-6-9(10)7-5-8/h1,8-9H,3-7H2
InChIKeyQVNMWEAALQMNPO-UHFFFAOYSA-N
XLogP2.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.20
LogP ≤ 52.54
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-fluoro-4-prop-2-ynylcyclohexane?
The IUPAC name of 1-fluoro-4-prop-2-ynylcyclohexane (CID 54432571) is 1-fluoro-4-prop-2-ynylcyclohexane.
What is the SMILES notation for 1-fluoro-4-prop-2-ynylcyclohexane?
The canonical SMILES for 1-fluoro-4-prop-2-ynylcyclohexane is C#CCC1CCC(F)CC1.
What is the InChIKey of 1-fluoro-4-prop-2-ynylcyclohexane?
The InChIKey is QVNMWEAALQMNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F/c1-2-3-8-4-6-9(10)7-5-8/h1,8-9H,3-7H2.
What are the key properties of 1-fluoro-4-prop-2-ynylcyclohexane?
1-fluoro-4-prop-2-ynylcyclohexane has a molecular weight of 140.20 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-prop-2-ynylcyclohexane is sourced from PubChem (CID 54432571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).