1,2-bis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-3,3,4,4,5,5-hexafluorocyclopentene

C19H6F30O2 — CID 159149768

IUPAC1,2-bis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-3,3,4,4,5,5-hexafluorocyclopentene
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COC1=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C19H6F30O2/c20-5(21)11(32,33)16(42,43)18(46,47)13(36,37)7(24,25)1-50-3-4(10(30,31)15(40,41)9(3,28)29)51-2-8(26,27)14(38,39)19(48,49)17(44,45)12(34,35)6(22)23/h5-6H,1-2H2
InChIKeyKJCZMYUCUKUAND-UHFFFAOYSA-N
MW836.19 g/mol
LogP10.03
Rot. Bonds16

About 1,2-bis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-3,3,4,4,5,5-hexafluorocyclopentene

1,2-bis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-3,3,4,4,5,5-hexafluorocyclopentene (PubChem CID 159149768) has the molecular formula C19H6F30O2 and a molecular weight of 836.19 g/mol. Its IUPAC name is 1,2-bis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-3,3,4,4,5,5-hexafluorocyclopentene.

Molecular Properties

Compound Name1,2-bis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-3,3,4,4,5,5-hexafluorocyclopentene
PubChem CID159149768
Molecular FormulaC19H6F30O2
Molecular Weight836.19 g/mol
Exact Mass835.99
IUPAC Name1,2-bis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-3,3,4,4,5,5-hexafluorocyclopentene
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COC1=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C19H6F30O2/c20-5(21)11(32,33)16(42,43)18(46,47)13(36,37)7(24,25)1-50-3-4(10(30,31)15(40,41)9(3,28)29)51-2-8(26,27)14(38,39)19(48,49)17(44,45)12(34,35)6(22)23/h5-6H,1-2H2
InChIKeyKJCZMYUCUKUAND-UHFFFAOYSA-N
XLogP10.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500836.19
LogP ≤ 510.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3,4,4,5,5-Hexafluoro-1,2-bis(2,2,2-trifluoroethoxy)cyclopentene
CID 155670532
3,3,4,4,5,5-Hexafluoro-1,2-bis(2,2,3,3-tetrafluoropropoxy)cyclopentene
CID 155670595
3,3,4,4,5,5-Hexafluoro-1-[6-(5-methoxypentoxy)hexoxy]-2-methylcyclopentene
CID 176591312
1,3,3,4,4,5,5-Heptafluoro-2-[6-[3,3,4,4,5,5-hexafluoro-2-[6-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxyhexoxy]cyclopenten-1-yl]oxyhexoxy]cyclopentene
CID 176591323
1,2-Bis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-3,3,4,4,5,5,6,6-octafluorocyclohexene
CID 154171412

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-3,3,4,4,5,5-hexafluorocyclopentene?
The IUPAC name of 1,2-bis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-3,3,4,4,5,5-hexafluorocyclopentene (CID 159149768) is 1,2-bis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-3,3,4,4,5,5-hexafluorocyclopentene.
What is the SMILES notation for 1,2-bis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-3,3,4,4,5,5-hexafluorocyclopentene?
The canonical SMILES for 1,2-bis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-3,3,4,4,5,5-hexafluorocyclopentene is FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COC1=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,2-bis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-3,3,4,4,5,5-hexafluorocyclopentene?
The InChIKey is KJCZMYUCUKUAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H6F30O2/c20-5(21)11(32,33)16(42,43)18(46,47)13(36,37)7(24,25)1-50-3-4(10(30,31)15(40,41)9(3,28)29)51-2-8(26,27)14(38,39)19(48,49)17(44,45)12(34,35)6(22)23/h5-6H,1-2H2.
What are the key properties of 1,2-bis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-3,3,4,4,5,5-hexafluorocyclopentene?
1,2-bis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-3,3,4,4,5,5-hexafluorocyclopentene has a molecular weight of 836.19 g/mol, XLogP of 10.03, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-3,3,4,4,5,5-hexafluorocyclopentene is sourced from PubChem (CID 159149768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).