1,1,1,3,3,3-hexafluoro-2-(1,2,2-trifluoroethenoxy)-2-(trifluoromethoxy)propane

C6F12O2 — CID 22119357

IUPAC1,1,1,3,3,3-hexafluoro-2-(1,2,2-trifluoroethenoxy)-2-(trifluoromethoxy)propane
SMILESFC(F)=C(F)OC(OC(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6F12O2/c7-1(8)2(9)19-3(4(10,11)12,5(13,14)15)20-6(16,17)18
InChIKeyBSBCGWXOMCWHNR-UHFFFAOYSA-N
MW332.04 g/mol
LogP4.40
Rot. Bonds3

About 1,1,1,3,3,3-hexafluoro-2-(1,2,2-trifluoroethenoxy)-2-(trifluoromethoxy)propane

1,1,1,3,3,3-hexafluoro-2-(1,2,2-trifluoroethenoxy)-2-(trifluoromethoxy)propane (PubChem CID 22119357) has the molecular formula C6F12O2 and a molecular weight of 332.04 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(1,2,2-trifluoroethenoxy)-2-(trifluoromethoxy)propane.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(1,2,2-trifluoroethenoxy)-2-(trifluoromethoxy)propane
PubChem CID22119357
Molecular FormulaC6F12O2
Molecular Weight332.04 g/mol
Exact Mass331.97
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(1,2,2-trifluoroethenoxy)-2-(trifluoromethoxy)propane
SMILESFC(F)=C(F)OC(OC(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6F12O2/c7-1(8)2(9)19-3(4(10,11)12,5(13,14)15)20-6(16,17)18
InChIKeyBSBCGWXOMCWHNR-UHFFFAOYSA-N
XLogP4.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.04
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(1,2,2-trifluoroethenoxy)-2-(trifluoromethoxy)propane?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(1,2,2-trifluoroethenoxy)-2-(trifluoromethoxy)propane (CID 22119357) is 1,1,1,3,3,3-hexafluoro-2-(1,2,2-trifluoroethenoxy)-2-(trifluoromethoxy)propane.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(1,2,2-trifluoroethenoxy)-2-(trifluoromethoxy)propane?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(1,2,2-trifluoroethenoxy)-2-(trifluoromethoxy)propane is FC(F)=C(F)OC(OC(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(1,2,2-trifluoroethenoxy)-2-(trifluoromethoxy)propane?
The InChIKey is BSBCGWXOMCWHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F12O2/c7-1(8)2(9)19-3(4(10,11)12,5(13,14)15)20-6(16,17)18.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(1,2,2-trifluoroethenoxy)-2-(trifluoromethoxy)propane?
1,1,1,3,3,3-hexafluoro-2-(1,2,2-trifluoroethenoxy)-2-(trifluoromethoxy)propane has a molecular weight of 332.04 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-(1,2,2-trifluoroethenoxy)-2-(trifluoromethoxy)propane is sourced from PubChem (CID 22119357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).