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

C10H2F18O — CID 175759738

IUPAC1,1,2,3,4,4,5,5,6,6,6-undecafluoro-1-(2,2,3,3,4,4,4-heptafluorobutoxy)hex-2-ene
SMILESFC(=C(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)OCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H2F18O/c11-2(5(15,16)8(21,22)10(26,27)28)3(12)6(17,18)29-1-4(13,14)7(19,20)9(23,24)25/h1H2
InChIKeyBCLOUYMMWBENCP-UHFFFAOYSA-N
MW480.09 g/mol
LogP6.41
Rot. Bonds7

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

1,1,2,3,4,4,5,5,6,6,6-undecafluoro-1-(2,2,3,3,4,4,4-heptafluorobutoxy)hex-2-ene (PubChem CID 175759738) has the molecular formula C10H2F18O and a molecular weight of 480.09 g/mol. Its IUPAC name is 1,1,2,3,4,4,5,5,6,6,6-undecafluoro-1-(2,2,3,3,4,4,4-heptafluorobutoxy)hex-2-ene.

Molecular Properties

Compound Name1,1,2,3,4,4,5,5,6,6,6-undecafluoro-1-(2,2,3,3,4,4,4-heptafluorobutoxy)hex-2-ene
PubChem CID175759738
Molecular FormulaC10H2F18O
Molecular Weight480.09 g/mol
Exact Mass479.98
IUPAC Name1,1,2,3,4,4,5,5,6,6,6-undecafluoro-1-(2,2,3,3,4,4,4-heptafluorobutoxy)hex-2-ene
SMILESFC(=C(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)OCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H2F18O/c11-2(5(15,16)8(21,22)10(26,27)28)3(12)6(17,18)29-1-4(13,14)7(19,20)9(23,24)25/h1H2
InChIKeyBCLOUYMMWBENCP-UHFFFAOYSA-N
XLogP6.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.09
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,4,4,5,5,6,6,6-undecafluoro-1-(2,2,3,3,4,4,4-heptafluorobutoxy)hex-2-ene?
The IUPAC name of 1,1,2,3,4,4,5,5,6,6,6-undecafluoro-1-(2,2,3,3,4,4,4-heptafluorobutoxy)hex-2-ene (CID 175759738) is 1,1,2,3,4,4,5,5,6,6,6-undecafluoro-1-(2,2,3,3,4,4,4-heptafluorobutoxy)hex-2-ene.
What is the SMILES notation for 1,1,2,3,4,4,5,5,6,6,6-undecafluoro-1-(2,2,3,3,4,4,4-heptafluorobutoxy)hex-2-ene?
The canonical SMILES for 1,1,2,3,4,4,5,5,6,6,6-undecafluoro-1-(2,2,3,3,4,4,4-heptafluorobutoxy)hex-2-ene is FC(=C(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)OCC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,3,4,4,5,5,6,6,6-undecafluoro-1-(2,2,3,3,4,4,4-heptafluorobutoxy)hex-2-ene?
The InChIKey is BCLOUYMMWBENCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H2F18O/c11-2(5(15,16)8(21,22)10(26,27)28)3(12)6(17,18)29-1-4(13,14)7(19,20)9(23,24)25/h1H2.
What are the key properties of 1,1,2,3,4,4,5,5,6,6,6-undecafluoro-1-(2,2,3,3,4,4,4-heptafluorobutoxy)hex-2-ene?
1,1,2,3,4,4,5,5,6,6,6-undecafluoro-1-(2,2,3,3,4,4,4-heptafluorobutoxy)hex-2-ene has a molecular weight of 480.09 g/mol, XLogP of 6.41, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,4,4,5,5,6,6,6-undecafluoro-1-(2,2,3,3,4,4,4-heptafluorobutoxy)hex-2-ene is sourced from PubChem (CID 175759738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).