2,2-difluoro-3,3-dimethylbutane

C6H12F2 — CID 14917271

IUPAC2,2-difluoro-3,3-dimethylbutane
SMILESCC(C)(C)C(C)(F)F
InChIInChI=1S/C6H12F2/c1-5(2,3)6(4,7)8/h1-4H3
InChIKeySSFMMOLTFRSBRZ-UHFFFAOYSA-N
MW122.16 g/mol
LogP2.69
Rot. Bonds

About 2,2-difluoro-3,3-dimethylbutane

2,2-difluoro-3,3-dimethylbutane (PubChem CID 14917271) has the molecular formula C6H12F2 and a molecular weight of 122.16 g/mol. Its IUPAC name is 2,2-difluoro-3,3-dimethylbutane.

Molecular Properties

Compound Name2,2-difluoro-3,3-dimethylbutane
PubChem CID14917271
Molecular FormulaC6H12F2
Molecular Weight122.16 g/mol
Exact Mass122.09
IUPAC Name2,2-difluoro-3,3-dimethylbutane
SMILESCC(C)(C)C(C)(F)F
InChIInChI=1S/C6H12F2/c1-5(2,3)6(4,7)8/h1-4H3
InChIKeySSFMMOLTFRSBRZ-UHFFFAOYSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.16
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,2-difluoro-3,3-dimethylbutane 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 2,2-difluoro-3,3-dimethylbutane?
The IUPAC name of 2,2-difluoro-3,3-dimethylbutane (CID 14917271) is 2,2-difluoro-3,3-dimethylbutane.
What is the SMILES notation for 2,2-difluoro-3,3-dimethylbutane?
The canonical SMILES for 2,2-difluoro-3,3-dimethylbutane is CC(C)(C)C(C)(F)F.
What is the InChIKey of 2,2-difluoro-3,3-dimethylbutane?
The InChIKey is SSFMMOLTFRSBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2/c1-5(2,3)6(4,7)8/h1-4H3.
What are the key properties of 2,2-difluoro-3,3-dimethylbutane?
2,2-difluoro-3,3-dimethylbutane has a molecular weight of 122.16 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3,3-dimethylbutane is sourced from PubChem (CID 14917271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).