1-tert-butyl-4-(difluoromethylidene)cyclohexane

C11H18F2 — CID 58974927

IUPAC1-tert-butyl-4-(difluoromethylidene)cyclohexane
SMILESCC(C)(C)C1CCC(=C(F)F)CC1
InChIInChI=1S/C11H18F2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h9H,4-7H2,1-3H3
InChIKeyKSLLJMSTLCGRRT-UHFFFAOYSA-N
MW188.26 g/mol
LogP4.37
Rot. Bonds

About 1-tert-butyl-4-(difluoromethylidene)cyclohexane

1-tert-butyl-4-(difluoromethylidene)cyclohexane (PubChem CID 58974927) has the molecular formula C11H18F2 and a molecular weight of 188.26 g/mol. Its IUPAC name is 1-tert-butyl-4-(difluoromethylidene)cyclohexane.

Molecular Properties

Compound Name1-tert-butyl-4-(difluoromethylidene)cyclohexane
PubChem CID58974927
Molecular FormulaC11H18F2
Molecular Weight188.26 g/mol
Exact Mass188.14
IUPAC Name1-tert-butyl-4-(difluoromethylidene)cyclohexane
SMILESCC(C)(C)C1CCC(=C(F)F)CC1
InChIInChI=1S/C11H18F2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h9H,4-7H2,1-3H3
InChIKeyKSLLJMSTLCGRRT-UHFFFAOYSA-N
XLogP4.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.26
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-tert-butyl-4-(difluoromethylidene)cyclohexane 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-tert-butyl-4-(difluoromethylidene)cyclohexane?
The IUPAC name of 1-tert-butyl-4-(difluoromethylidene)cyclohexane (CID 58974927) is 1-tert-butyl-4-(difluoromethylidene)cyclohexane.
What is the SMILES notation for 1-tert-butyl-4-(difluoromethylidene)cyclohexane?
The canonical SMILES for 1-tert-butyl-4-(difluoromethylidene)cyclohexane is CC(C)(C)C1CCC(=C(F)F)CC1.
What is the InChIKey of 1-tert-butyl-4-(difluoromethylidene)cyclohexane?
The InChIKey is KSLLJMSTLCGRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h9H,4-7H2,1-3H3.
What are the key properties of 1-tert-butyl-4-(difluoromethylidene)cyclohexane?
1-tert-butyl-4-(difluoromethylidene)cyclohexane has a molecular weight of 188.26 g/mol, XLogP of 4.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(difluoromethylidene)cyclohexane is sourced from PubChem (CID 58974927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).