1,1,2,3,3-pentafluoro-3-[1,2,2,2-tetrafluoro-1-(1,1,2,2,2-pentafluoroethoxy)ethoxy]prop-1-ene

C7F14O2 — CID 137478429

IUPAC1,1,2,3,3-pentafluoro-3-[1,2,2,2-tetrafluoro-1-(1,1,2,2,2-pentafluoroethoxy)ethoxy]prop-1-ene
SMILESFC(F)=C(F)C(F)(F)OC(F)(OC(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7F14O2/c8-1(2(9)10)3(11,12)22-7(21,5(16,17)18)23-6(19,20)4(13,14)15
InChIKeyGCZSSAHKQPWDFQ-UHFFFAOYSA-N
MW382.05 g/mol
LogP5.03
Rot. Bonds5

About 1,1,2,3,3-pentafluoro-3-[1,2,2,2-tetrafluoro-1-(1,1,2,2,2-pentafluoroethoxy)ethoxy]prop-1-ene

1,1,2,3,3-pentafluoro-3-[1,2,2,2-tetrafluoro-1-(1,1,2,2,2-pentafluoroethoxy)ethoxy]prop-1-ene (PubChem CID 137478429) has the molecular formula C7F14O2 and a molecular weight of 382.05 g/mol. Its IUPAC name is 1,1,2,3,3-pentafluoro-3-[1,2,2,2-tetrafluoro-1-(1,1,2,2,2-pentafluoroethoxy)ethoxy]prop-1-ene.

Molecular Properties

Compound Name1,1,2,3,3-pentafluoro-3-[1,2,2,2-tetrafluoro-1-(1,1,2,2,2-pentafluoroethoxy)ethoxy]prop-1-ene
PubChem CID137478429
Molecular FormulaC7F14O2
Molecular Weight382.05 g/mol
Exact Mass381.97
IUPAC Name1,1,2,3,3-pentafluoro-3-[1,2,2,2-tetrafluoro-1-(1,1,2,2,2-pentafluoroethoxy)ethoxy]prop-1-ene
SMILESFC(F)=C(F)C(F)(F)OC(F)(OC(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7F14O2/c8-1(2(9)10)3(11,12)22-7(21,5(16,17)18)23-6(19,20)4(13,14)15
InChIKeyGCZSSAHKQPWDFQ-UHFFFAOYSA-N
XLogP5.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.05
LogP ≤ 55.03
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 1,1,2,3,3-pentafluoro-3-[1,2,2,2-tetrafluoro-1-(1,1,2,2,2-pentafluoroethoxy)ethoxy]prop-1-ene?
The IUPAC name of 1,1,2,3,3-pentafluoro-3-[1,2,2,2-tetrafluoro-1-(1,1,2,2,2-pentafluoroethoxy)ethoxy]prop-1-ene (CID 137478429) is 1,1,2,3,3-pentafluoro-3-[1,2,2,2-tetrafluoro-1-(1,1,2,2,2-pentafluoroethoxy)ethoxy]prop-1-ene.
What is the SMILES notation for 1,1,2,3,3-pentafluoro-3-[1,2,2,2-tetrafluoro-1-(1,1,2,2,2-pentafluoroethoxy)ethoxy]prop-1-ene?
The canonical SMILES for 1,1,2,3,3-pentafluoro-3-[1,2,2,2-tetrafluoro-1-(1,1,2,2,2-pentafluoroethoxy)ethoxy]prop-1-ene is FC(F)=C(F)C(F)(F)OC(F)(OC(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,2,3,3-pentafluoro-3-[1,2,2,2-tetrafluoro-1-(1,1,2,2,2-pentafluoroethoxy)ethoxy]prop-1-ene?
The InChIKey is GCZSSAHKQPWDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7F14O2/c8-1(2(9)10)3(11,12)22-7(21,5(16,17)18)23-6(19,20)4(13,14)15.
What are the key properties of 1,1,2,3,3-pentafluoro-3-[1,2,2,2-tetrafluoro-1-(1,1,2,2,2-pentafluoroethoxy)ethoxy]prop-1-ene?
1,1,2,3,3-pentafluoro-3-[1,2,2,2-tetrafluoro-1-(1,1,2,2,2-pentafluoroethoxy)ethoxy]prop-1-ene has a molecular weight of 382.05 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3-pentafluoro-3-[1,2,2,2-tetrafluoro-1-(1,1,2,2,2-pentafluoroethoxy)ethoxy]prop-1-ene is sourced from PubChem (CID 137478429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).