1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propane

C6H2F12O — CID 22676946

IUPAC1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propane
SMILESFC(F)(F)C(OC(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H2F12O/c7-3(8,9)1(4(10,11)12)19-2(5(13,14)15)6(16,17)18/h1-2H
InChIKeyCXJWJJZGJZNBRK-UHFFFAOYSA-N
MW318.06 g/mol
LogP3.99
Rot. Bonds2

About 1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propane

1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propane (PubChem CID 22676946) has the molecular formula C6H2F12O and a molecular weight of 318.06 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propane.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propane
PubChem CID22676946
Molecular FormulaC6H2F12O
Molecular Weight318.06 g/mol
Exact Mass317.99
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propane
SMILESFC(F)(F)C(OC(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H2F12O/c7-3(8,9)1(4(10,11)12)19-2(5(13,14)15)6(16,17)18/h1-2H
InChIKeyCXJWJJZGJZNBRK-UHFFFAOYSA-N
XLogP3.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.06
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propane?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propane (CID 22676946) is 1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propane.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propane?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propane is FC(F)(F)C(OC(C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propane?
The InChIKey is CXJWJJZGJZNBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F12O/c7-3(8,9)1(4(10,11)12)19-2(5(13,14)15)6(16,17)18/h1-2H.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propane?
1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propane has a molecular weight of 318.06 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propane is sourced from PubChem (CID 22676946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).