4-tert-butyl-1,1-difluorocyclohexane

C10H18F2 — CID 640499

IUPAC4-tert-butyl-1,1-difluorocyclohexane
SMILESCC(C)(C)C1CCC(F)(F)CC1
InChIInChI=1S/C10H18F2/c1-9(2,3)8-4-6-10(11,12)7-5-8/h8H,4-7H2,1-3H3
InChIKeyPZMAZSVVXRCWTG-UHFFFAOYSA-N
MW176.25 g/mol
LogP3.86
Rot. Bonds

About 4-tert-butyl-1,1-difluorocyclohexane

4-tert-butyl-1,1-difluorocyclohexane (PubChem CID 640499) has the molecular formula C10H18F2 and a molecular weight of 176.25 g/mol. Its IUPAC name is 4-tert-butyl-1,1-difluorocyclohexane.

Molecular Properties

Compound Name4-tert-butyl-1,1-difluorocyclohexane
PubChem CID640499
Molecular FormulaC10H18F2
Molecular Weight176.25 g/mol
Exact Mass176.14
IUPAC Name4-tert-butyl-1,1-difluorocyclohexane
SMILESCC(C)(C)C1CCC(F)(F)CC1
InChIInChI=1S/C10H18F2/c1-9(2,3)8-4-6-10(11,12)7-5-8/h8H,4-7H2,1-3H3
InChIKeyPZMAZSVVXRCWTG-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.25
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4-tert-butyl-1,1-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 4-tert-butyl-1,1-difluorocyclohexane?
The IUPAC name of 4-tert-butyl-1,1-difluorocyclohexane (CID 640499) is 4-tert-butyl-1,1-difluorocyclohexane.
What is the SMILES notation for 4-tert-butyl-1,1-difluorocyclohexane?
The canonical SMILES for 4-tert-butyl-1,1-difluorocyclohexane is CC(C)(C)C1CCC(F)(F)CC1.
What is the InChIKey of 4-tert-butyl-1,1-difluorocyclohexane?
The InChIKey is PZMAZSVVXRCWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2/c1-9(2,3)8-4-6-10(11,12)7-5-8/h8H,4-7H2,1-3H3.
What are the key properties of 4-tert-butyl-1,1-difluorocyclohexane?
4-tert-butyl-1,1-difluorocyclohexane has a molecular weight of 176.25 g/mol, XLogP of 3.86, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1,1-difluorocyclohexane is sourced from PubChem (CID 640499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).