1-[(Z)-1,2-difluoroprop-1-enoxy]-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propane

C9H3F15O2 — CID 134574761

IUPAC1-[(Z)-1,2-difluoroprop-1-enoxy]-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propane
SMILESC/C(F)=C(/F)OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H3F15O2/c1-2(10)3(11)25-9(23,24)5(14,7(18,19)20)26-8(21,22)4(12,13)6(15,16)17/h1H3/b3-2+
InChIKeyHYSCEFQOKVXHRF-NSCUHMNNSA-N
MW428.09 g/mol
LogP5.76
Rot. Bonds6

About 1-[(Z)-1,2-difluoroprop-1-enoxy]-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propane

1-[(Z)-1,2-difluoroprop-1-enoxy]-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propane (PubChem CID 134574761) has the molecular formula C9H3F15O2 and a molecular weight of 428.09 g/mol. Its IUPAC name is 1-[(Z)-1,2-difluoroprop-1-enoxy]-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propane.

Molecular Properties

Compound Name1-[(Z)-1,2-difluoroprop-1-enoxy]-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propane
PubChem CID134574761
Molecular FormulaC9H3F15O2
Molecular Weight428.09 g/mol
Exact Mass427.99
IUPAC Name1-[(Z)-1,2-difluoroprop-1-enoxy]-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propane
SMILESC/C(F)=C(/F)OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H3F15O2/c1-2(10)3(11)25-9(23,24)5(14,7(18,19)20)26-8(21,22)4(12,13)6(15,16)17/h1H3/b3-2+
InChIKeyHYSCEFQOKVXHRF-NSCUHMNNSA-N
XLogP5.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.09
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1,2-difluoroprop-1-enoxy]-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propane?
The IUPAC name of 1-[(Z)-1,2-difluoroprop-1-enoxy]-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propane (CID 134574761) is 1-[(Z)-1,2-difluoroprop-1-enoxy]-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propane.
What is the SMILES notation for 1-[(Z)-1,2-difluoroprop-1-enoxy]-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propane?
The canonical SMILES for 1-[(Z)-1,2-difluoroprop-1-enoxy]-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propane is C/C(F)=C(/F)OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-[(Z)-1,2-difluoroprop-1-enoxy]-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propane?
The InChIKey is HYSCEFQOKVXHRF-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H3F15O2/c1-2(10)3(11)25-9(23,24)5(14,7(18,19)20)26-8(21,22)4(12,13)6(15,16)17/h1H3/b3-2+.
What are the key properties of 1-[(Z)-1,2-difluoroprop-1-enoxy]-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propane?
1-[(Z)-1,2-difluoroprop-1-enoxy]-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propane has a molecular weight of 428.09 g/mol, XLogP of 5.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1,2-difluoroprop-1-enoxy]-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propane is sourced from PubChem (CID 134574761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).