1,2,3,3,4,4,5,5,6,6,6-undecafluoro-1-hexoxyhex-1-ene

C12H13F11O — CID 175759743

IUPAC1,2,3,3,4,4,5,5,6,6,6-undecafluoro-1-hexoxyhex-1-ene
SMILESCCCCCCOC(F)=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H13F11O/c1-2-3-4-5-6-24-8(14)7(13)9(15,16)10(17,18)11(19,20)12(21,22)23/h2-6H2,1H3
InChIKeyYZMSXOFZGUSNBI-UHFFFAOYSA-N
MW382.21 g/mol
LogP6.16
Rot. Bonds9

About 1,2,3,3,4,4,5,5,6,6,6-undecafluoro-1-hexoxyhex-1-ene

1,2,3,3,4,4,5,5,6,6,6-undecafluoro-1-hexoxyhex-1-ene (PubChem CID 175759743) has the molecular formula C12H13F11O and a molecular weight of 382.21 g/mol. Its IUPAC name is 1,2,3,3,4,4,5,5,6,6,6-undecafluoro-1-hexoxyhex-1-ene.

Molecular Properties

Compound Name1,2,3,3,4,4,5,5,6,6,6-undecafluoro-1-hexoxyhex-1-ene
PubChem CID175759743
Molecular FormulaC12H13F11O
Molecular Weight382.21 g/mol
Exact Mass382.08
IUPAC Name1,2,3,3,4,4,5,5,6,6,6-undecafluoro-1-hexoxyhex-1-ene
SMILESCCCCCCOC(F)=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H13F11O/c1-2-3-4-5-6-24-8(14)7(13)9(15,16)10(17,18)11(19,20)12(21,22)23/h2-6H2,1H3
InChIKeyYZMSXOFZGUSNBI-UHFFFAOYSA-N
XLogP6.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.21
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2,3,3,4,4,5,5,5-nonafluoro-1-pentoxypent-1-ene
CID 175759689
1-(1,2,3,3,3-pentafluoroprop-1-enoxy)tetradecane
CID 175204949
octyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoate
CID 86127603
1,2,3,3,4,4,5,5,6,6,6-undecafluoro-1-(2,2,3,3,3-pentafluoropropoxy)hex-1-ene
CID 175759797
1-ethoxy-1,2,3,3,4,4,5,5,5-nonafluoropent-1-ene
CID 172692823
octyl N-[2-(1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enoxy)phenyl]carbamate
CID 139811497
octyl N-[3-(1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enoxy)phenyl]carbamate
CID 139811440
pentyl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 521107
1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptoxy)octane
CID 71328605
1,1,1,2,2,3,3,4,4-nonafluoro-5-(1,2,3,3,4,4,5,5,5-nonafluoropent-1-enoxy)pentane
CID 175759723
hexadecyl 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoylamino)propanoate
CID 91745353
decyl 2,2,3,3,3-pentafluoropropanoate
CID 536957

Frequently Asked Questions

What is the IUPAC name of 1,2,3,3,4,4,5,5,6,6,6-undecafluoro-1-hexoxyhex-1-ene?
The IUPAC name of 1,2,3,3,4,4,5,5,6,6,6-undecafluoro-1-hexoxyhex-1-ene (CID 175759743) is 1,2,3,3,4,4,5,5,6,6,6-undecafluoro-1-hexoxyhex-1-ene.
What is the SMILES notation for 1,2,3,3,4,4,5,5,6,6,6-undecafluoro-1-hexoxyhex-1-ene?
The canonical SMILES for 1,2,3,3,4,4,5,5,6,6,6-undecafluoro-1-hexoxyhex-1-ene is CCCCCCOC(F)=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,2,3,3,4,4,5,5,6,6,6-undecafluoro-1-hexoxyhex-1-ene?
The InChIKey is YZMSXOFZGUSNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F11O/c1-2-3-4-5-6-24-8(14)7(13)9(15,16)10(17,18)11(19,20)12(21,22)23/h2-6H2,1H3.
What are the key properties of 1,2,3,3,4,4,5,5,6,6,6-undecafluoro-1-hexoxyhex-1-ene?
1,2,3,3,4,4,5,5,6,6,6-undecafluoro-1-hexoxyhex-1-ene has a molecular weight of 382.21 g/mol, XLogP of 6.16, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3,4,4,5,5,6,6,6-undecafluoro-1-hexoxyhex-1-ene is sourced from PubChem (CID 175759743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).