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

C9H2F16O — CID 175759797

IUPAC1,2,3,3,4,4,5,5,6,6,6-undecafluoro-1-(2,2,3,3,3-pentafluoropropoxy)hex-1-ene
SMILESFC(OCC(F)(F)C(F)(F)F)=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H2F16O/c10-2(3(11)26-1-4(12,13)8(20,21)22)5(14,15)6(16,17)7(18,19)9(23,24)25/h1H2
InChIKeyXLBNKJHHBXPEKJ-UHFFFAOYSA-N
MW430.08 g/mol
LogP5.78
Rot. Bonds6

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

1,2,3,3,4,4,5,5,6,6,6-undecafluoro-1-(2,2,3,3,3-pentafluoropropoxy)hex-1-ene (PubChem CID 175759797) has the molecular formula C9H2F16O and a molecular weight of 430.08 g/mol. Its IUPAC name is 1,2,3,3,4,4,5,5,6,6,6-undecafluoro-1-(2,2,3,3,3-pentafluoropropoxy)hex-1-ene.

Molecular Properties

Compound Name1,2,3,3,4,4,5,5,6,6,6-undecafluoro-1-(2,2,3,3,3-pentafluoropropoxy)hex-1-ene
PubChem CID175759797
Molecular FormulaC9H2F16O
Molecular Weight430.08 g/mol
Exact Mass429.99
IUPAC Name1,2,3,3,4,4,5,5,6,6,6-undecafluoro-1-(2,2,3,3,3-pentafluoropropoxy)hex-1-ene
SMILESFC(OCC(F)(F)C(F)(F)F)=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H2F16O/c10-2(3(11)26-1-4(12,13)8(20,21)22)5(14,15)6(16,17)7(18,19)9(23,24)25/h1H2
InChIKeyXLBNKJHHBXPEKJ-UHFFFAOYSA-N
XLogP5.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.08
LogP ≤ 55.78
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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Related Compounds

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1,2,3,3,4,4,5,5,6,6,6-undecafluoro-1-hexoxyhex-1-ene
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1-ethoxy-1,2,3,3,4,4,5,5,5-nonafluoropent-1-ene
CID 172692823
1,2,3,3,4,4,5,5,5-nonafluoro-1-pentoxypent-1-ene
CID 175759689
1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-1-(2-prop-2-enoxyethoxy)non-1-ene
CID 175347724
1,1,1,2,2,3,3,4,4,5,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tetracosafluorododec-5-ene
CID 85237088
2,2,3,3,3-pentafluoropropyl 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl carbonate
CID 99769571
1,1,2,3,4,4,5,5,6,6,7,7,7-tridecafluoro-1-(1,1,2,3,4,4,5,5,6,6,7,7,7-tridecafluorohept-2-enoxy)hept-2-ene
CID 154941709
1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodec-1-enylboronic acid
CID 175476066
3-(1,2-difluoroethenoxy)-1,1,1,2,2-pentafluoropropane
CID 57075811
2,3,4,6-tetrafluoro-5-(1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enoxy)aniline
CID 139811452
3,4,6-trifluoro-5-(1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodec-1-enoxy)benzene-1,2-diamine
CID 150127473

Frequently Asked Questions

What is the IUPAC name of 1,2,3,3,4,4,5,5,6,6,6-undecafluoro-1-(2,2,3,3,3-pentafluoropropoxy)hex-1-ene?
The IUPAC name of 1,2,3,3,4,4,5,5,6,6,6-undecafluoro-1-(2,2,3,3,3-pentafluoropropoxy)hex-1-ene (CID 175759797) is 1,2,3,3,4,4,5,5,6,6,6-undecafluoro-1-(2,2,3,3,3-pentafluoropropoxy)hex-1-ene.
What is the SMILES notation for 1,2,3,3,4,4,5,5,6,6,6-undecafluoro-1-(2,2,3,3,3-pentafluoropropoxy)hex-1-ene?
The canonical SMILES for 1,2,3,3,4,4,5,5,6,6,6-undecafluoro-1-(2,2,3,3,3-pentafluoropropoxy)hex-1-ene is FC(OCC(F)(F)C(F)(F)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-(2,2,3,3,3-pentafluoropropoxy)hex-1-ene?
The InChIKey is XLBNKJHHBXPEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H2F16O/c10-2(3(11)26-1-4(12,13)8(20,21)22)5(14,15)6(16,17)7(18,19)9(23,24)25/h1H2.
What are the key properties of 1,2,3,3,4,4,5,5,6,6,6-undecafluoro-1-(2,2,3,3,3-pentafluoropropoxy)hex-1-ene?
1,2,3,3,4,4,5,5,6,6,6-undecafluoro-1-(2,2,3,3,3-pentafluoropropoxy)hex-1-ene has a molecular weight of 430.08 g/mol, XLogP of 5.78, 6 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-(2,2,3,3,3-pentafluoropropoxy)hex-1-ene is sourced from PubChem (CID 175759797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).