3-[difluoro(1,1,2,2,2-pentafluoroethoxy)methoxy]-1,1,2,3,3-pentafluoroprop-1-ene

C6F12O2 — CID 15544540

IUPAC3-[difluoro(1,1,2,2,2-pentafluoroethoxy)methoxy]-1,1,2,3,3-pentafluoroprop-1-ene
SMILESFC(F)=C(F)C(F)(F)OC(F)(F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C6F12O2/c7-1(2(8)9)3(10,11)19-6(17,18)20-5(15,16)4(12,13)14
InChIKeyIGYDLHCEXHMZET-UHFFFAOYSA-N
MW332.04 g/mol
LogP4.40
Rot. Bonds5

About 3-[difluoro(1,1,2,2,2-pentafluoroethoxy)methoxy]-1,1,2,3,3-pentafluoroprop-1-ene

3-[difluoro(1,1,2,2,2-pentafluoroethoxy)methoxy]-1,1,2,3,3-pentafluoroprop-1-ene (PubChem CID 15544540) has the molecular formula C6F12O2 and a molecular weight of 332.04 g/mol. Its IUPAC name is 3-[difluoro(1,1,2,2,2-pentafluoroethoxy)methoxy]-1,1,2,3,3-pentafluoroprop-1-ene.

Molecular Properties

Compound Name3-[difluoro(1,1,2,2,2-pentafluoroethoxy)methoxy]-1,1,2,3,3-pentafluoroprop-1-ene
PubChem CID15544540
Molecular FormulaC6F12O2
Molecular Weight332.04 g/mol
Exact Mass331.97
IUPAC Name3-[difluoro(1,1,2,2,2-pentafluoroethoxy)methoxy]-1,1,2,3,3-pentafluoroprop-1-ene
SMILESFC(F)=C(F)C(F)(F)OC(F)(F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C6F12O2/c7-1(2(8)9)3(10,11)19-6(17,18)20-5(15,16)4(12,13)14
InChIKeyIGYDLHCEXHMZET-UHFFFAOYSA-N
XLogP4.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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': '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 3-[difluoro(1,1,2,2,2-pentafluoroethoxy)methoxy]-1,1,2,3,3-pentafluoroprop-1-ene?
The IUPAC name of 3-[difluoro(1,1,2,2,2-pentafluoroethoxy)methoxy]-1,1,2,3,3-pentafluoroprop-1-ene (CID 15544540) is 3-[difluoro(1,1,2,2,2-pentafluoroethoxy)methoxy]-1,1,2,3,3-pentafluoroprop-1-ene.
What is the SMILES notation for 3-[difluoro(1,1,2,2,2-pentafluoroethoxy)methoxy]-1,1,2,3,3-pentafluoroprop-1-ene?
The canonical SMILES for 3-[difluoro(1,1,2,2,2-pentafluoroethoxy)methoxy]-1,1,2,3,3-pentafluoroprop-1-ene is FC(F)=C(F)C(F)(F)OC(F)(F)OC(F)(F)C(F)(F)F.
What is the InChIKey of 3-[difluoro(1,1,2,2,2-pentafluoroethoxy)methoxy]-1,1,2,3,3-pentafluoroprop-1-ene?
The InChIKey is IGYDLHCEXHMZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F12O2/c7-1(2(8)9)3(10,11)19-6(17,18)20-5(15,16)4(12,13)14.
What are the key properties of 3-[difluoro(1,1,2,2,2-pentafluoroethoxy)methoxy]-1,1,2,3,3-pentafluoroprop-1-ene?
3-[difluoro(1,1,2,2,2-pentafluoroethoxy)methoxy]-1,1,2,3,3-pentafluoroprop-1-ene has a molecular weight of 332.04 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[difluoro(1,1,2,2,2-pentafluoroethoxy)methoxy]-1,1,2,3,3-pentafluoroprop-1-ene is sourced from PubChem (CID 15544540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).