3,3-difluoro-2,4-dimethylpentane

C7H14F2 — CID 14917272

IUPAC3,3-difluoro-2,4-dimethylpentane
SMILESCC(C)C(F)(F)C(C)C
InChIInChI=1S/C7H14F2/c1-5(2)7(8,9)6(3)4/h5-6H,1-4H3
InChIKeyOYMCICUVXIIAOW-UHFFFAOYSA-N
MW136.19 g/mol
LogP2.93
Rot. Bonds2

About 3,3-difluoro-2,4-dimethylpentane

3,3-difluoro-2,4-dimethylpentane (PubChem CID 14917272) has the molecular formula C7H14F2 and a molecular weight of 136.19 g/mol. Its IUPAC name is 3,3-difluoro-2,4-dimethylpentane.

Molecular Properties

Compound Name3,3-difluoro-2,4-dimethylpentane
PubChem CID14917272
Molecular FormulaC7H14F2
Molecular Weight136.19 g/mol
Exact Mass136.11
IUPAC Name3,3-difluoro-2,4-dimethylpentane
SMILESCC(C)C(F)(F)C(C)C
InChIInChI=1S/C7H14F2/c1-5(2)7(8,9)6(3)4/h5-6H,1-4H3
InChIKeyOYMCICUVXIIAOW-UHFFFAOYSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3,3-difluoro-2,4-dimethylpentane 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 3,3-difluoro-2,4-dimethylpentane?
The IUPAC name of 3,3-difluoro-2,4-dimethylpentane (CID 14917272) is 3,3-difluoro-2,4-dimethylpentane.
What is the SMILES notation for 3,3-difluoro-2,4-dimethylpentane?
The canonical SMILES for 3,3-difluoro-2,4-dimethylpentane is CC(C)C(F)(F)C(C)C.
What is the InChIKey of 3,3-difluoro-2,4-dimethylpentane?
The InChIKey is OYMCICUVXIIAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2/c1-5(2)7(8,9)6(3)4/h5-6H,1-4H3.
What are the key properties of 3,3-difluoro-2,4-dimethylpentane?
3,3-difluoro-2,4-dimethylpentane has a molecular weight of 136.19 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2,4-dimethylpentane is sourced from PubChem (CID 14917272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).