3-fluoroprop-1-en-2-ylcyclohexane

C9H15F — CID 23458995

IUPAC3-fluoroprop-1-en-2-ylcyclohexane
SMILESC=C(CF)C1CCCCC1
InChIInChI=1S/C9H15F/c1-8(7-10)9-5-3-2-4-6-9/h9H,1-7H2
InChIKeyVAIVWPHEVLREBY-UHFFFAOYSA-N
MW142.22 g/mol
LogP3.09
Rot. Bonds2

About 3-fluoroprop-1-en-2-ylcyclohexane

3-fluoroprop-1-en-2-ylcyclohexane (PubChem CID 23458995) has the molecular formula C9H15F and a molecular weight of 142.22 g/mol. Its IUPAC name is 3-fluoroprop-1-en-2-ylcyclohexane.

Molecular Properties

Compound Name3-fluoroprop-1-en-2-ylcyclohexane
PubChem CID23458995
Molecular FormulaC9H15F
Molecular Weight142.22 g/mol
Exact Mass142.12
IUPAC Name3-fluoroprop-1-en-2-ylcyclohexane
SMILESC=C(CF)C1CCCCC1
InChIInChI=1S/C9H15F/c1-8(7-10)9-5-3-2-4-6-9/h9H,1-7H2
InChIKeyVAIVWPHEVLREBY-UHFFFAOYSA-N
XLogP3.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoroprop-1-en-2-ylcyclohexane?
The IUPAC name of 3-fluoroprop-1-en-2-ylcyclohexane (CID 23458995) is 3-fluoroprop-1-en-2-ylcyclohexane.
What is the SMILES notation for 3-fluoroprop-1-en-2-ylcyclohexane?
The canonical SMILES for 3-fluoroprop-1-en-2-ylcyclohexane is C=C(CF)C1CCCCC1.
What is the InChIKey of 3-fluoroprop-1-en-2-ylcyclohexane?
The InChIKey is VAIVWPHEVLREBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F/c1-8(7-10)9-5-3-2-4-6-9/h9H,1-7H2.
What are the key properties of 3-fluoroprop-1-en-2-ylcyclohexane?
3-fluoroprop-1-en-2-ylcyclohexane has a molecular weight of 142.22 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoroprop-1-en-2-ylcyclohexane is sourced from PubChem (CID 23458995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).