(4R)-1-(2,2-dimethylpropyl)-4-fluorocyclohexene

C11H19F — CID 89392736

IUPAC(4R)-1-(2,2-dimethylpropyl)-4-fluorocyclohexene
SMILESCC(C)(C)CC1=CC[C@H](F)CC1
InChIInChI=1S/C11H19F/c1-11(2,3)8-9-4-6-10(12)7-5-9/h4,10H,5-8H2,1-3H3/t10-/m0/s1
InChIKeyMCPVBGXMQOPRLI-JTQLQIEISA-N
MW170.27 g/mol
LogP3.87
Rot. Bonds1

About (4R)-1-(2,2-dimethylpropyl)-4-fluorocyclohexene

(4R)-1-(2,2-dimethylpropyl)-4-fluorocyclohexene (PubChem CID 89392736) has the molecular formula C11H19F and a molecular weight of 170.27 g/mol. Its IUPAC name is (4R)-1-(2,2-dimethylpropyl)-4-fluorocyclohexene.

Molecular Properties

Compound Name(4R)-1-(2,2-dimethylpropyl)-4-fluorocyclohexene
PubChem CID89392736
Molecular FormulaC11H19F
Molecular Weight170.27 g/mol
Exact Mass170.15
IUPAC Name(4R)-1-(2,2-dimethylpropyl)-4-fluorocyclohexene
SMILESCC(C)(C)CC1=CC[C@H](F)CC1
InChIInChI=1S/C11H19F/c1-11(2,3)8-9-4-6-10(12)7-5-9/h4,10H,5-8H2,1-3H3/t10-/m0/s1
InChIKeyMCPVBGXMQOPRLI-JTQLQIEISA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.27
LogP ≤ 53.87
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 (4R)-1-(2,2-dimethylpropyl)-4-fluorocyclohexene?
The IUPAC name of (4R)-1-(2,2-dimethylpropyl)-4-fluorocyclohexene (CID 89392736) is (4R)-1-(2,2-dimethylpropyl)-4-fluorocyclohexene.
What is the SMILES notation for (4R)-1-(2,2-dimethylpropyl)-4-fluorocyclohexene?
The canonical SMILES for (4R)-1-(2,2-dimethylpropyl)-4-fluorocyclohexene is CC(C)(C)CC1=CC[C@H](F)CC1.
What is the InChIKey of (4R)-1-(2,2-dimethylpropyl)-4-fluorocyclohexene?
The InChIKey is MCPVBGXMQOPRLI-JTQLQIEISA-N. The full InChI is InChI=1S/C11H19F/c1-11(2,3)8-9-4-6-10(12)7-5-9/h4,10H,5-8H2,1-3H3/t10-/m0/s1.
What are the key properties of (4R)-1-(2,2-dimethylpropyl)-4-fluorocyclohexene?
(4R)-1-(2,2-dimethylpropyl)-4-fluorocyclohexene has a molecular weight of 170.27 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(2,2-dimethylpropyl)-4-fluorocyclohexene is sourced from PubChem (CID 89392736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).