3-tert-butyl-1-cyclopropyl-6-fluoro-6-methylcyclohexene

C14H23F — CID 130402077

IUPAC3-tert-butyl-1-cyclopropyl-6-fluoro-6-methylcyclohexene
SMILESCC1(F)CCC(C(C)(C)C)C=C1C1CC1
InChIInChI=1S/C14H23F/c1-13(2,3)11-7-8-14(4,15)12(9-11)10-5-6-10/h9-11H,5-8H2,1-4H3
InChIKeyKRNKONPTQJHSFZ-UHFFFAOYSA-N
MW210.34 g/mol
LogP4.51
Rot. Bonds1

About 3-tert-butyl-1-cyclopropyl-6-fluoro-6-methylcyclohexene

3-tert-butyl-1-cyclopropyl-6-fluoro-6-methylcyclohexene (PubChem CID 130402077) has the molecular formula C14H23F and a molecular weight of 210.34 g/mol. Its IUPAC name is 3-tert-butyl-1-cyclopropyl-6-fluoro-6-methylcyclohexene.

Molecular Properties

Compound Name3-tert-butyl-1-cyclopropyl-6-fluoro-6-methylcyclohexene
PubChem CID130402077
Molecular FormulaC14H23F
Molecular Weight210.34 g/mol
Exact Mass210.18
IUPAC Name3-tert-butyl-1-cyclopropyl-6-fluoro-6-methylcyclohexene
SMILESCC1(F)CCC(C(C)(C)C)C=C1C1CC1
InChIInChI=1S/C14H23F/c1-13(2,3)11-7-8-14(4,15)12(9-11)10-5-6-10/h9-11H,5-8H2,1-4H3
InChIKeyKRNKONPTQJHSFZ-UHFFFAOYSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.34
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-tert-butyl-1-cyclopropyl-6-fluoro-6-methylcyclohexene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-cyclopropyl-6-fluoro-6-methylcyclohexene?
The IUPAC name of 3-tert-butyl-1-cyclopropyl-6-fluoro-6-methylcyclohexene (CID 130402077) is 3-tert-butyl-1-cyclopropyl-6-fluoro-6-methylcyclohexene.
What is the SMILES notation for 3-tert-butyl-1-cyclopropyl-6-fluoro-6-methylcyclohexene?
The canonical SMILES for 3-tert-butyl-1-cyclopropyl-6-fluoro-6-methylcyclohexene is CC1(F)CCC(C(C)(C)C)C=C1C1CC1.
What is the InChIKey of 3-tert-butyl-1-cyclopropyl-6-fluoro-6-methylcyclohexene?
The InChIKey is KRNKONPTQJHSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F/c1-13(2,3)11-7-8-14(4,15)12(9-11)10-5-6-10/h9-11H,5-8H2,1-4H3.
What are the key properties of 3-tert-butyl-1-cyclopropyl-6-fluoro-6-methylcyclohexene?
3-tert-butyl-1-cyclopropyl-6-fluoro-6-methylcyclohexene has a molecular weight of 210.34 g/mol, XLogP of 4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-cyclopropyl-6-fluoro-6-methylcyclohexene is sourced from PubChem (CID 130402077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).