1,1,2,3,3,4,5,5,6,6,6-undecafluoro-4-(1,2,2-trifluoroethenoxy)hex-1-ene

C8F14O — CID 86233517

IUPAC1,1,2,3,3,4,5,5,6,6,6-undecafluoro-4-(1,2,2-trifluoroethenoxy)hex-1-ene
SMILESFC(F)=C(F)OC(F)(C(F)(F)C(F)=C(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8F14O/c9-1(2(10)11)5(15,16)7(19,23-4(14)3(12)13)6(17,18)8(20,21)22
InChIKeySEKZBXLTIOKRAR-UHFFFAOYSA-N
MW378.06 g/mol
LogP5.61
Rot. Bonds5

About 1,1,2,3,3,4,5,5,6,6,6-undecafluoro-4-(1,2,2-trifluoroethenoxy)hex-1-ene

1,1,2,3,3,4,5,5,6,6,6-undecafluoro-4-(1,2,2-trifluoroethenoxy)hex-1-ene (PubChem CID 86233517) has the molecular formula C8F14O and a molecular weight of 378.06 g/mol. Its IUPAC name is 1,1,2,3,3,4,5,5,6,6,6-undecafluoro-4-(1,2,2-trifluoroethenoxy)hex-1-ene.

Molecular Properties

Compound Name1,1,2,3,3,4,5,5,6,6,6-undecafluoro-4-(1,2,2-trifluoroethenoxy)hex-1-ene
PubChem CID86233517
Molecular FormulaC8F14O
Molecular Weight378.06 g/mol
Exact Mass377.97
IUPAC Name1,1,2,3,3,4,5,5,6,6,6-undecafluoro-4-(1,2,2-trifluoroethenoxy)hex-1-ene
SMILESFC(F)=C(F)OC(F)(C(F)(F)C(F)=C(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8F14O/c9-1(2(10)11)5(15,16)7(19,23-4(14)3(12)13)6(17,18)8(20,21)22
InChIKeySEKZBXLTIOKRAR-UHFFFAOYSA-N
XLogP5.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.06
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1,1,2,3,3,4,5,5,6,6,6-undecafluoro-4-(1,2,2-trifluoroethenoxy)hex-1-ene?
The IUPAC name of 1,1,2,3,3,4,5,5,6,6,6-undecafluoro-4-(1,2,2-trifluoroethenoxy)hex-1-ene (CID 86233517) is 1,1,2,3,3,4,5,5,6,6,6-undecafluoro-4-(1,2,2-trifluoroethenoxy)hex-1-ene.
What is the SMILES notation for 1,1,2,3,3,4,5,5,6,6,6-undecafluoro-4-(1,2,2-trifluoroethenoxy)hex-1-ene?
The canonical SMILES for 1,1,2,3,3,4,5,5,6,6,6-undecafluoro-4-(1,2,2-trifluoroethenoxy)hex-1-ene is FC(F)=C(F)OC(F)(C(F)(F)C(F)=C(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,3,3,4,5,5,6,6,6-undecafluoro-4-(1,2,2-trifluoroethenoxy)hex-1-ene?
The InChIKey is SEKZBXLTIOKRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8F14O/c9-1(2(10)11)5(15,16)7(19,23-4(14)3(12)13)6(17,18)8(20,21)22.
What are the key properties of 1,1,2,3,3,4,5,5,6,6,6-undecafluoro-4-(1,2,2-trifluoroethenoxy)hex-1-ene?
1,1,2,3,3,4,5,5,6,6,6-undecafluoro-4-(1,2,2-trifluoroethenoxy)hex-1-ene has a molecular weight of 378.06 g/mol, XLogP of 5.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3,4,5,5,6,6,6-undecafluoro-4-(1,2,2-trifluoroethenoxy)hex-1-ene is sourced from PubChem (CID 86233517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).