1,1,1,3,3,3-hexafluoro-2-methyl-2-(2,2,2-trifluoroethoxy)propane

C6H5F9O — CID 20738940

IUPAC1,1,1,3,3,3-hexafluoro-2-methyl-2-(2,2,2-trifluoroethoxy)propane
SMILESCC(OCC(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H5F9O/c1-3(5(10,11)12,6(13,14)15)16-2-4(7,8)9/h2H2,1H3
InChIKeyFCEVNOIEIHRVNZ-UHFFFAOYSA-N
MW264.09 g/mol
LogP3.45
Rot. Bonds2

About 1,1,1,3,3,3-hexafluoro-2-methyl-2-(2,2,2-trifluoroethoxy)propane

1,1,1,3,3,3-hexafluoro-2-methyl-2-(2,2,2-trifluoroethoxy)propane (PubChem CID 20738940) has the molecular formula C6H5F9O and a molecular weight of 264.09 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-methyl-2-(2,2,2-trifluoroethoxy)propane.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-methyl-2-(2,2,2-trifluoroethoxy)propane
PubChem CID20738940
Molecular FormulaC6H5F9O
Molecular Weight264.09 g/mol
Exact Mass264.02
IUPAC Name1,1,1,3,3,3-hexafluoro-2-methyl-2-(2,2,2-trifluoroethoxy)propane
SMILESCC(OCC(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H5F9O/c1-3(5(10,11)12,6(13,14)15)16-2-4(7,8)9/h2H2,1H3
InChIKeyFCEVNOIEIHRVNZ-UHFFFAOYSA-N
XLogP3.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.09
LogP ≤ 53.45
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-methyl-2-(2,2,2-trifluoroethoxy)propane?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-methyl-2-(2,2,2-trifluoroethoxy)propane (CID 20738940) is 1,1,1,3,3,3-hexafluoro-2-methyl-2-(2,2,2-trifluoroethoxy)propane.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-methyl-2-(2,2,2-trifluoroethoxy)propane?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-methyl-2-(2,2,2-trifluoroethoxy)propane is CC(OCC(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-methyl-2-(2,2,2-trifluoroethoxy)propane?
The InChIKey is FCEVNOIEIHRVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F9O/c1-3(5(10,11)12,6(13,14)15)16-2-4(7,8)9/h2H2,1H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-methyl-2-(2,2,2-trifluoroethoxy)propane?
1,1,1,3,3,3-hexafluoro-2-methyl-2-(2,2,2-trifluoroethoxy)propane has a molecular weight of 264.09 g/mol, XLogP of 3.45, 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-methyl-2-(2,2,2-trifluoroethoxy)propane is sourced from PubChem (CID 20738940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).