1,3,3,4,4,5,6,6-octafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)cyclohexene

C10F18 — CID 91695374

IUPAC1,3,3,4,4,5,6,6-octafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)cyclohexene
SMILESFC1=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C1(F)F
InChIInChI=1S/C10F18/c11-2-1(3(12,8(20,21)22)9(23,24)25)4(13,14)7(18,19)6(17,5(2,15)16)10(26,27)28
InChIKeyJKUIYBUFECVNTK-UHFFFAOYSA-N
MW462.07 g/mol
LogP6.23
Rot. Bonds1

About 1,3,3,4,4,5,6,6-octafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)cyclohexene

1,3,3,4,4,5,6,6-octafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)cyclohexene (PubChem CID 91695374) has the molecular formula C10F18 and a molecular weight of 462.07 g/mol. Its IUPAC name is 1,3,3,4,4,5,6,6-octafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)cyclohexene.

Molecular Properties

Compound Name1,3,3,4,4,5,6,6-octafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)cyclohexene
PubChem CID91695374
Molecular FormulaC10F18
Molecular Weight462.07 g/mol
Exact Mass461.97
IUPAC Name1,3,3,4,4,5,6,6-octafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)cyclohexene
SMILESFC1=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C1(F)F
InChIInChI=1S/C10F18/c11-2-1(3(12,8(20,21)22)9(23,24)25)4(13,14)7(18,19)6(17,5(2,15)16)10(26,27)28
InChIKeyJKUIYBUFECVNTK-UHFFFAOYSA-N
XLogP6.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.07
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,3,3,4,4,5,6,6-octafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)cyclohexene with MolForge

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Related Compounds

Perfluoro-1,2-dimethyl-4,5,6,7-tetrahydroindane
CID 15628708
Cyclohexene, 1,3,3,4,4,5,5,6,6-nonafluoro-2-(pentafluoroethyl)-
CID 10926524
4-Trifluorovinylnonafluorocyclohexene
CID 85687040
1,3,3,4,4,5,5-Heptafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclopentene
CID 12563817
1,3,3,4,4,5,5,6,6-Nonafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexene
CID 12563819
1,1,1,4,4,5,5,6,7,8,8,8-Dodecafluoro-2,3,6,7-tetrakis(trifluoromethyl)oct-2-ene
CID 12710298
CID 71391659
CID 71391659
Perfluoro(1,2-dipropylcyclohexene)
CID 550354
2-Trifluoromethylperfluorobicyclo[4.3.0]non-1(6)-ene
CID 550621
1,1,2,3,3,4,4,5,5,6,6,7,7-Tridecafluoro-2-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indene
CID 550622
Perfluoro[1-(1-ethyl-1-methylpropyl)]cyclohexene
CID 550630
Perfluoro[7-ethylbicyclo[4.3.0]-nona-1(6)-ene]
CID 576671

Frequently Asked Questions

What is the IUPAC name of 1,3,3,4,4,5,6,6-octafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)cyclohexene?
The IUPAC name of 1,3,3,4,4,5,6,6-octafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)cyclohexene (CID 91695374) is 1,3,3,4,4,5,6,6-octafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)cyclohexene.
What is the SMILES notation for 1,3,3,4,4,5,6,6-octafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)cyclohexene?
The canonical SMILES for 1,3,3,4,4,5,6,6-octafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)cyclohexene is FC1=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C1(F)F.
What is the InChIKey of 1,3,3,4,4,5,6,6-octafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)cyclohexene?
The InChIKey is JKUIYBUFECVNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F18/c11-2-1(3(12,8(20,21)22)9(23,24)25)4(13,14)7(18,19)6(17,5(2,15)16)10(26,27)28.
What are the key properties of 1,3,3,4,4,5,6,6-octafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)cyclohexene?
1,3,3,4,4,5,6,6-octafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)cyclohexene has a molecular weight of 462.07 g/mol, XLogP of 6.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,4,4,5,6,6-octafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)cyclohexene is sourced from PubChem (CID 91695374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).