1,5-ditert-butyl-2,4-difluorocyclohexane

C14H26F2 — CID 166036476

IUPAC1,5-ditert-butyl-2,4-difluorocyclohexane
SMILESCC(C)(C)C1CC(C(C)(C)C)C(F)CC1F
InChIInChI=1S/C14H26F2/c1-13(2,3)9-7-10(14(4,5)6)12(16)8-11(9)15/h9-12H,7-8H2,1-6H3
InChIKeyZZCPCNVEOAQSLY-UHFFFAOYSA-N
MW232.36 g/mol
LogP4.78
Rot. Bonds

About 1,5-ditert-butyl-2,4-difluorocyclohexane

1,5-ditert-butyl-2,4-difluorocyclohexane (PubChem CID 166036476) has the molecular formula C14H26F2 and a molecular weight of 232.36 g/mol. Its IUPAC name is 1,5-ditert-butyl-2,4-difluorocyclohexane.

Molecular Properties

Compound Name1,5-ditert-butyl-2,4-difluorocyclohexane
PubChem CID166036476
Molecular FormulaC14H26F2
Molecular Weight232.36 g/mol
Exact Mass232.20
IUPAC Name1,5-ditert-butyl-2,4-difluorocyclohexane
SMILESCC(C)(C)C1CC(C(C)(C)C)C(F)CC1F
InChIInChI=1S/C14H26F2/c1-13(2,3)9-7-10(14(4,5)6)12(16)8-11(9)15/h9-12H,7-8H2,1-6H3
InChIKeyZZCPCNVEOAQSLY-UHFFFAOYSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.36
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,5-ditert-butyl-2,4-difluorocyclohexane 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 1,5-ditert-butyl-2,4-difluorocyclohexane?
The IUPAC name of 1,5-ditert-butyl-2,4-difluorocyclohexane (CID 166036476) is 1,5-ditert-butyl-2,4-difluorocyclohexane.
What is the SMILES notation for 1,5-ditert-butyl-2,4-difluorocyclohexane?
The canonical SMILES for 1,5-ditert-butyl-2,4-difluorocyclohexane is CC(C)(C)C1CC(C(C)(C)C)C(F)CC1F.
What is the InChIKey of 1,5-ditert-butyl-2,4-difluorocyclohexane?
The InChIKey is ZZCPCNVEOAQSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2/c1-13(2,3)9-7-10(14(4,5)6)12(16)8-11(9)15/h9-12H,7-8H2,1-6H3.
What are the key properties of 1,5-ditert-butyl-2,4-difluorocyclohexane?
1,5-ditert-butyl-2,4-difluorocyclohexane has a molecular weight of 232.36 g/mol, XLogP of 4.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-ditert-butyl-2,4-difluorocyclohexane is sourced from PubChem (CID 166036476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).