1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;propane

C8H14F6 — CID 91298869

IUPAC1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;propane
SMILESCC(C)(C(F)(F)F)C(F)(F)F.CCC
InChIInChI=1S/C5H6F6.C3H8/c1-3(2,4(6,7)8)5(9,10)11;1-3-2/h1-2H3;3H2,1-2H3
InChIKeyXKSXKBVXLCMXJP-UHFFFAOYSA-N
MW224.19 g/mol
LogP4.55
Rot. Bonds

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

1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;propane (PubChem CID 91298869) has the molecular formula C8H14F6 and a molecular weight of 224.19 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;propane.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;propane
PubChem CID91298869
Molecular FormulaC8H14F6
Molecular Weight224.19 g/mol
Exact Mass224.10
IUPAC Name1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;propane
SMILESCC(C)(C(F)(F)F)C(F)(F)F.CCC
InChIInChI=1S/C5H6F6.C3H8/c1-3(2,4(6,7)8)5(9,10)11;1-3-2/h1-2H3;3H2,1-2H3
InChIKeyXKSXKBVXLCMXJP-UHFFFAOYSA-N
XLogP4.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.19
LogP ≤ 54.55
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;propane?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;propane (CID 91298869) is 1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;propane.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;propane?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;propane is CC(C)(C(F)(F)F)C(F)(F)F.CCC.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;propane?
The InChIKey is XKSXKBVXLCMXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F6.C3H8/c1-3(2,4(6,7)8)5(9,10)11;1-3-2/h1-2H3;3H2,1-2H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;propane?
1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;propane has a molecular weight of 224.19 g/mol, XLogP of 4.55, 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;propane is sourced from PubChem (CID 91298869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).