1,1,1,2,2,3,3-heptafluoro-3-[1,2,2,2-tetrafluoro-1-(trifluoromethoxy)ethoxy]propane

C6F14O2 — CID 11132379

IUPAC1,1,1,2,2,3,3-heptafluoro-3-[1,2,2,2-tetrafluoro-1-(trifluoromethoxy)ethoxy]propane
SMILESFC(F)(F)OC(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6F14O2/c7-1(8,2(9,10)11)4(15,16)21-5(17,3(12,13)14)22-6(18,19)20
InChIKeyUNAIJTSDOAAGHY-UHFFFAOYSA-N
MW370.04 g/mol
LogP4.52
Rot. Bonds4

About 1,1,1,2,2,3,3-heptafluoro-3-[1,2,2,2-tetrafluoro-1-(trifluoromethoxy)ethoxy]propane

1,1,1,2,2,3,3-heptafluoro-3-[1,2,2,2-tetrafluoro-1-(trifluoromethoxy)ethoxy]propane (PubChem CID 11132379) has the molecular formula C6F14O2 and a molecular weight of 370.04 g/mol. Its IUPAC name is 1,1,1,2,2,3,3-heptafluoro-3-[1,2,2,2-tetrafluoro-1-(trifluoromethoxy)ethoxy]propane.

Molecular Properties

Compound Name1,1,1,2,2,3,3-heptafluoro-3-[1,2,2,2-tetrafluoro-1-(trifluoromethoxy)ethoxy]propane
PubChem CID11132379
Molecular FormulaC6F14O2
Molecular Weight370.04 g/mol
Exact Mass369.97
IUPAC Name1,1,1,2,2,3,3-heptafluoro-3-[1,2,2,2-tetrafluoro-1-(trifluoromethoxy)ethoxy]propane
SMILESFC(F)(F)OC(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6F14O2/c7-1(8,2(9,10)11)4(15,16)21-5(17,3(12,13)14)22-6(18,19)20
InChIKeyUNAIJTSDOAAGHY-UHFFFAOYSA-N
XLogP4.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.04
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3-heptafluoro-3-[1,2,2,2-tetrafluoro-1-(trifluoromethoxy)ethoxy]propane?
The IUPAC name of 1,1,1,2,2,3,3-heptafluoro-3-[1,2,2,2-tetrafluoro-1-(trifluoromethoxy)ethoxy]propane (CID 11132379) is 1,1,1,2,2,3,3-heptafluoro-3-[1,2,2,2-tetrafluoro-1-(trifluoromethoxy)ethoxy]propane.
What is the SMILES notation for 1,1,1,2,2,3,3-heptafluoro-3-[1,2,2,2-tetrafluoro-1-(trifluoromethoxy)ethoxy]propane?
The canonical SMILES for 1,1,1,2,2,3,3-heptafluoro-3-[1,2,2,2-tetrafluoro-1-(trifluoromethoxy)ethoxy]propane is FC(F)(F)OC(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3-heptafluoro-3-[1,2,2,2-tetrafluoro-1-(trifluoromethoxy)ethoxy]propane?
The InChIKey is UNAIJTSDOAAGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F14O2/c7-1(8,2(9,10)11)4(15,16)21-5(17,3(12,13)14)22-6(18,19)20.
What are the key properties of 1,1,1,2,2,3,3-heptafluoro-3-[1,2,2,2-tetrafluoro-1-(trifluoromethoxy)ethoxy]propane?
1,1,1,2,2,3,3-heptafluoro-3-[1,2,2,2-tetrafluoro-1-(trifluoromethoxy)ethoxy]propane has a molecular weight of 370.04 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3-heptafluoro-3-[1,2,2,2-tetrafluoro-1-(trifluoromethoxy)ethoxy]propane is sourced from PubChem (CID 11132379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).