4-fluoro-1-propan-2-ylcyclohexene

C9H15F — CID 69179605

IUPAC4-fluoro-1-propan-2-ylcyclohexene
SMILESCC(C)C1=CCC(F)CC1
InChIInChI=1S/C9H15F/c1-7(2)8-3-5-9(10)6-4-8/h3,7,9H,4-6H2,1-2H3
InChIKeyDVNLNSCNDANLOX-UHFFFAOYSA-N
MW142.22 g/mol
LogP3.09
Rot. Bonds1

About 4-fluoro-1-propan-2-ylcyclohexene

4-fluoro-1-propan-2-ylcyclohexene (PubChem CID 69179605) has the molecular formula C9H15F and a molecular weight of 142.22 g/mol. Its IUPAC name is 4-fluoro-1-propan-2-ylcyclohexene.

Molecular Properties

Compound Name4-fluoro-1-propan-2-ylcyclohexene
PubChem CID69179605
Molecular FormulaC9H15F
Molecular Weight142.22 g/mol
Exact Mass142.12
IUPAC Name4-fluoro-1-propan-2-ylcyclohexene
SMILESCC(C)C1=CCC(F)CC1
InChIInChI=1S/C9H15F/c1-7(2)8-3-5-9(10)6-4-8/h3,7,9H,4-6H2,1-2H3
InChIKeyDVNLNSCNDANLOX-UHFFFAOYSA-N
XLogP3.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
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 4-fluoro-1-propan-2-ylcyclohexene?
The IUPAC name of 4-fluoro-1-propan-2-ylcyclohexene (CID 69179605) is 4-fluoro-1-propan-2-ylcyclohexene.
What is the SMILES notation for 4-fluoro-1-propan-2-ylcyclohexene?
The canonical SMILES for 4-fluoro-1-propan-2-ylcyclohexene is CC(C)C1=CCC(F)CC1.
What is the InChIKey of 4-fluoro-1-propan-2-ylcyclohexene?
The InChIKey is DVNLNSCNDANLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F/c1-7(2)8-3-5-9(10)6-4-8/h3,7,9H,4-6H2,1-2H3.
What are the key properties of 4-fluoro-1-propan-2-ylcyclohexene?
4-fluoro-1-propan-2-ylcyclohexene has a molecular weight of 142.22 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-propan-2-ylcyclohexene is sourced from PubChem (CID 69179605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).