1,1-difluoro-2,3-dimethylbutane

C6H12F2 — CID 88588035

IUPAC1,1-difluoro-2,3-dimethylbutane
SMILESCC(C)C(C)C(F)F
InChIInChI=1S/C6H12F2/c1-4(2)5(3)6(7)8/h4-6H,1-3H3
InChIKeyXFSWVFDULBAQGP-UHFFFAOYSA-N
MW122.16 g/mol
LogP2.54
Rot. Bonds2

About 1,1-difluoro-2,3-dimethylbutane

1,1-difluoro-2,3-dimethylbutane (PubChem CID 88588035) has the molecular formula C6H12F2 and a molecular weight of 122.16 g/mol. Its IUPAC name is 1,1-difluoro-2,3-dimethylbutane.

Molecular Properties

Compound Name1,1-difluoro-2,3-dimethylbutane
PubChem CID88588035
Molecular FormulaC6H12F2
Molecular Weight122.16 g/mol
Exact Mass122.09
IUPAC Name1,1-difluoro-2,3-dimethylbutane
SMILESCC(C)C(C)C(F)F
InChIInChI=1S/C6H12F2/c1-4(2)5(3)6(7)8/h4-6H,1-3H3
InChIKeyXFSWVFDULBAQGP-UHFFFAOYSA-N
XLogP2.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.16
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,1-difluoro-2,3-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 1,1-difluoro-2,3-dimethylbutane?
The IUPAC name of 1,1-difluoro-2,3-dimethylbutane (CID 88588035) is 1,1-difluoro-2,3-dimethylbutane.
What is the SMILES notation for 1,1-difluoro-2,3-dimethylbutane?
The canonical SMILES for 1,1-difluoro-2,3-dimethylbutane is CC(C)C(C)C(F)F.
What is the InChIKey of 1,1-difluoro-2,3-dimethylbutane?
The InChIKey is XFSWVFDULBAQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2/c1-4(2)5(3)6(7)8/h4-6H,1-3H3.
What are the key properties of 1,1-difluoro-2,3-dimethylbutane?
1,1-difluoro-2,3-dimethylbutane has a molecular weight of 122.16 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2,3-dimethylbutane is sourced from PubChem (CID 88588035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).