1,2-difluoro-3,5-dimethylcyclohexane

C8H14F2 — CID 89171069

IUPAC1,2-difluoro-3,5-dimethylcyclohexane
SMILESCC1CC(C)C(F)C(F)C1
InChIInChI=1S/C8H14F2/c1-5-3-6(2)8(10)7(9)4-5/h5-8H,3-4H2,1-2H3
InChIKeyDLJLJQVYRGJFGN-UHFFFAOYSA-N
MW148.20 g/mol
LogP2.73
Rot. Bonds

About 1,2-difluoro-3,5-dimethylcyclohexane

1,2-difluoro-3,5-dimethylcyclohexane (PubChem CID 89171069) has the molecular formula C8H14F2 and a molecular weight of 148.20 g/mol. Its IUPAC name is 1,2-difluoro-3,5-dimethylcyclohexane.

Molecular Properties

Compound Name1,2-difluoro-3,5-dimethylcyclohexane
PubChem CID89171069
Molecular FormulaC8H14F2
Molecular Weight148.20 g/mol
Exact Mass148.11
IUPAC Name1,2-difluoro-3,5-dimethylcyclohexane
SMILESCC1CC(C)C(F)C(F)C1
InChIInChI=1S/C8H14F2/c1-5-3-6(2)8(10)7(9)4-5/h5-8H,3-4H2,1-2H3
InChIKeyDLJLJQVYRGJFGN-UHFFFAOYSA-N
XLogP2.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2-difluoro-3,5-dimethylcyclohexane 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 1,2-difluoro-3,5-dimethylcyclohexane?
The IUPAC name of 1,2-difluoro-3,5-dimethylcyclohexane (CID 89171069) is 1,2-difluoro-3,5-dimethylcyclohexane.
What is the SMILES notation for 1,2-difluoro-3,5-dimethylcyclohexane?
The canonical SMILES for 1,2-difluoro-3,5-dimethylcyclohexane is CC1CC(C)C(F)C(F)C1.
What is the InChIKey of 1,2-difluoro-3,5-dimethylcyclohexane?
The InChIKey is DLJLJQVYRGJFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2/c1-5-3-6(2)8(10)7(9)4-5/h5-8H,3-4H2,1-2H3.
What are the key properties of 1,2-difluoro-3,5-dimethylcyclohexane?
1,2-difluoro-3,5-dimethylcyclohexane has a molecular weight of 148.20 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-3,5-dimethylcyclohexane is sourced from PubChem (CID 89171069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).