5,6-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)bicyclo[2.2.1]hept-2-ene

C19H8F26 — CID 14024093

IUPAC5,6-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)bicyclo[2.2.1]hept-2-ene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1C2C=CC(C2)C1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C19H8F26/c20-8(21,10(24,25)12(28,29)14(32,33)16(36,37)18(40,41)42)6-4-1-2-5(3-4)7(6)9(22,23)11(26,27)13(30,31)15(34,35)17(38,39)19(43,44)45/h1-2,4-7H,3H2
InChIKeyIRODAZMVKXCVQF-UHFFFAOYSA-N
MW730.22 g/mol
LogP9.90
Rot. Bonds10

About 5,6-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)bicyclo[2.2.1]hept-2-ene

5,6-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)bicyclo[2.2.1]hept-2-ene (PubChem CID 14024093) has the molecular formula C19H8F26 and a molecular weight of 730.22 g/mol. Its IUPAC name is 5,6-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5,6-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)bicyclo[2.2.1]hept-2-ene
PubChem CID14024093
Molecular FormulaC19H8F26
Molecular Weight730.22 g/mol
Exact Mass730.02
IUPAC Name5,6-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)bicyclo[2.2.1]hept-2-ene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1C2C=CC(C2)C1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C19H8F26/c20-8(21,10(24,25)12(28,29)14(32,33)16(36,37)18(40,41)42)6-4-1-2-5(3-4)7(6)9(22,23)11(26,27)13(30,31)15(34,35)17(38,39)19(43,44)45/h1-2,4-7H,3H2
InChIKeyIRODAZMVKXCVQF-UHFFFAOYSA-N
XLogP9.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.22
LogP ≤ 59.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-(Nonafluorobutyl)bicyclo[2.2.1]hept-2-ene
CID 14024088
5,5,6-Trifluoro-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
CID 3429600
5-(Trifluoromethyl)bicyclo[2.2.1]hept-2-ene
CID 13070154
5-(1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexyl)bicyclo[2.2.1]hept-2-ene
CID 13685039
5-Allyl-2-norbornene
CID 548715
6-(Difluoromethylidene)-5,5-dimethylbicyclo[2.2.1]hept-2-ene
CID 12769993
(1R,2R,5S,6S)-3,3-bis(trifluoromethyl)tricyclo[4.2.1.02,5]non-7-ene
CID 134921993
1,2,3,4,7,7-Hexafluoro-5-vinylbicyclo[2.2.1]hept-2-ene
CID 543102
5,10-Difluorotricyclo[5.2.1.0(2,6)]deca-3,8-diene
CID 558560
(1S,4R,5S,6R)-5,6-difluoro-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
CID 21731428
(1S,4R,5R,6S)-5,6-difluoro-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
CID 21731429
3,3,4,4-Tetrafluorotricyclo[4.2.1.0(2,5)]non-7-ene
CID 5200972

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5,6-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)bicyclo[2.2.1]hept-2-ene (CID 14024093) is 5,6-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5,6-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5,6-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)bicyclo[2.2.1]hept-2-ene is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1C2C=CC(C2)C1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 5,6-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is IRODAZMVKXCVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H8F26/c20-8(21,10(24,25)12(28,29)14(32,33)16(36,37)18(40,41)42)6-4-1-2-5(3-4)7(6)9(22,23)11(26,27)13(30,31)15(34,35)17(38,39)19(43,44)45/h1-2,4-7H,3H2.
What are the key properties of 5,6-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)bicyclo[2.2.1]hept-2-ene?
5,6-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 730.22 g/mol, XLogP of 9.90, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 14024093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).