1,1-difluoro-3,3-dimethylpentane

C7H14F2 — CID 170027103

IUPAC1,1-difluoro-3,3-dimethylpentane
SMILESCCC(C)(C)CC(F)F
InChIInChI=1S/C7H14F2/c1-4-7(2,3)5-6(8)9/h6H,4-5H2,1-3H3
InChIKeyXYOXTMOIDRENSJ-UHFFFAOYSA-N
MW136.19 g/mol
LogP3.08
Rot. Bonds3

About 1,1-difluoro-3,3-dimethylpentane

1,1-difluoro-3,3-dimethylpentane (PubChem CID 170027103) has the molecular formula C7H14F2 and a molecular weight of 136.19 g/mol. Its IUPAC name is 1,1-difluoro-3,3-dimethylpentane.

Molecular Properties

Compound Name1,1-difluoro-3,3-dimethylpentane
PubChem CID170027103
Molecular FormulaC7H14F2
Molecular Weight136.19 g/mol
Exact Mass136.11
IUPAC Name1,1-difluoro-3,3-dimethylpentane
SMILESCCC(C)(C)CC(F)F
InChIInChI=1S/C7H14F2/c1-4-7(2,3)5-6(8)9/h6H,4-5H2,1-3H3
InChIKeyXYOXTMOIDRENSJ-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,1-difluoro-3,3-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 1,1-difluoro-3,3-dimethylpentane?
The IUPAC name of 1,1-difluoro-3,3-dimethylpentane (CID 170027103) is 1,1-difluoro-3,3-dimethylpentane.
What is the SMILES notation for 1,1-difluoro-3,3-dimethylpentane?
The canonical SMILES for 1,1-difluoro-3,3-dimethylpentane is CCC(C)(C)CC(F)F.
What is the InChIKey of 1,1-difluoro-3,3-dimethylpentane?
The InChIKey is XYOXTMOIDRENSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2/c1-4-7(2,3)5-6(8)9/h6H,4-5H2,1-3H3.
What are the key properties of 1,1-difluoro-3,3-dimethylpentane?
1,1-difluoro-3,3-dimethylpentane has a molecular weight of 136.19 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3,3-dimethylpentane is sourced from PubChem (CID 170027103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).