1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane

C5H6F6 — CID 15733905

IUPAC1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane
SMILESCC(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H6F6/c1-3(2,4(6,7)8)5(9,10)11/h1-2H3
InChIKeyONNGDXIHDFMCJB-UHFFFAOYSA-N
MW180.09 g/mol
LogP3.14
Rot. Bonds

About 1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane

1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane (PubChem CID 15733905) has the molecular formula C5H6F6 and a molecular weight of 180.09 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane
PubChem CID15733905
Molecular FormulaC5H6F6
Molecular Weight180.09 g/mol
Exact Mass180.04
IUPAC Name1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane
SMILESCC(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H6F6/c1-3(2,4(6,7)8)5(9,10)11/h1-2H3
InChIKeyONNGDXIHDFMCJB-UHFFFAOYSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.09
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane (CID 15733905) is 1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane is CC(C)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane?
The InChIKey is ONNGDXIHDFMCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F6/c1-3(2,4(6,7)8)5(9,10)11/h1-2H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane?
1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane has a molecular weight of 180.09 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane is sourced from PubChem (CID 15733905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).