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

C8H7F9O3 — CID 177282155

IUPAC3-[2-[difluoro(1,1,2,2,2-pentafluoroethoxy)methoxy]-2,2-difluoroethoxy]prop-1-ene
SMILESC=CCOCC(F)(F)OC(F)(F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C8H7F9O3/c1-2-3-18-4-5(9,10)19-8(16,17)20-7(14,15)6(11,12)13/h2H,1,3-4H2
InChIKeyIZHDWPSAFZWKCQ-UHFFFAOYSA-N
MW322.12 g/mol
LogP3.52
Rot. Bonds8

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

3-[2-[difluoro(1,1,2,2,2-pentafluoroethoxy)methoxy]-2,2-difluoroethoxy]prop-1-ene (PubChem CID 177282155) has the molecular formula C8H7F9O3 and a molecular weight of 322.12 g/mol. Its IUPAC name is 3-[2-[difluoro(1,1,2,2,2-pentafluoroethoxy)methoxy]-2,2-difluoroethoxy]prop-1-ene.

Molecular Properties

Compound Name3-[2-[difluoro(1,1,2,2,2-pentafluoroethoxy)methoxy]-2,2-difluoroethoxy]prop-1-ene
PubChem CID177282155
Molecular FormulaC8H7F9O3
Molecular Weight322.12 g/mol
Exact Mass322.03
IUPAC Name3-[2-[difluoro(1,1,2,2,2-pentafluoroethoxy)methoxy]-2,2-difluoroethoxy]prop-1-ene
SMILESC=CCOCC(F)(F)OC(F)(F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C8H7F9O3/c1-2-3-18-4-5(9,10)19-8(16,17)20-7(14,15)6(11,12)13/h2H,1,3-4H2
InChIKeyIZHDWPSAFZWKCQ-UHFFFAOYSA-N
XLogP3.52
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.12
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[difluoro(1,1,2,2,2-pentafluoroethoxy)methoxy]-2,2-difluoroethoxy]prop-1-ene?
The IUPAC name of 3-[2-[difluoro(1,1,2,2,2-pentafluoroethoxy)methoxy]-2,2-difluoroethoxy]prop-1-ene (CID 177282155) is 3-[2-[difluoro(1,1,2,2,2-pentafluoroethoxy)methoxy]-2,2-difluoroethoxy]prop-1-ene.
What is the SMILES notation for 3-[2-[difluoro(1,1,2,2,2-pentafluoroethoxy)methoxy]-2,2-difluoroethoxy]prop-1-ene?
The canonical SMILES for 3-[2-[difluoro(1,1,2,2,2-pentafluoroethoxy)methoxy]-2,2-difluoroethoxy]prop-1-ene is C=CCOCC(F)(F)OC(F)(F)OC(F)(F)C(F)(F)F.
What is the InChIKey of 3-[2-[difluoro(1,1,2,2,2-pentafluoroethoxy)methoxy]-2,2-difluoroethoxy]prop-1-ene?
The InChIKey is IZHDWPSAFZWKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F9O3/c1-2-3-18-4-5(9,10)19-8(16,17)20-7(14,15)6(11,12)13/h2H,1,3-4H2.
What are the key properties of 3-[2-[difluoro(1,1,2,2,2-pentafluoroethoxy)methoxy]-2,2-difluoroethoxy]prop-1-ene?
3-[2-[difluoro(1,1,2,2,2-pentafluoroethoxy)methoxy]-2,2-difluoroethoxy]prop-1-ene has a molecular weight of 322.12 g/mol, XLogP of 3.52, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[difluoro(1,1,2,2,2-pentafluoroethoxy)methoxy]-2,2-difluoroethoxy]prop-1-ene is sourced from PubChem (CID 177282155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).