1,3,3,4,4,5,6,6-octafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-5-(trifluoromethyl)cyclohexene

C11F20 — CID 91695339

IUPAC1,3,3,4,4,5,6,6-octafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-5-(trifluoromethyl)cyclohexene
SMILESFC1=C(C(C(F)(F)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/C11F20/c12-2-1(3(8(20,21)22,9(23,24)25)10(26,27)28)4(13,14)7(18,19)6(17,5(2,15)16)11(29,30)31
InChIKeyJODFBXNLRWMQKD-UHFFFAOYSA-N
MW512.08 g/mol
LogP7.07
Rot. Bonds1

About 1,3,3,4,4,5,6,6-octafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-5-(trifluoromethyl)cyclohexene

1,3,3,4,4,5,6,6-octafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-5-(trifluoromethyl)cyclohexene (PubChem CID 91695339) has the molecular formula C11F20 and a molecular weight of 512.08 g/mol. Its IUPAC name is 1,3,3,4,4,5,6,6-octafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-5-(trifluoromethyl)cyclohexene.

Molecular Properties

Compound Name1,3,3,4,4,5,6,6-octafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-5-(trifluoromethyl)cyclohexene
PubChem CID91695339
Molecular FormulaC11F20
Molecular Weight512.08 g/mol
Exact Mass511.97
IUPAC Name1,3,3,4,4,5,6,6-octafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-5-(trifluoromethyl)cyclohexene
SMILESFC1=C(C(C(F)(F)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/C11F20/c12-2-1(3(8(20,21)22,9(23,24)25)10(26,27)28)4(13,14)7(18,19)6(17,5(2,15)16)11(29,30)31
InChIKeyJODFBXNLRWMQKD-UHFFFAOYSA-N
XLogP7.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.08
LogP ≤ 57.07
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-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-5-(trifluoromethyl)cyclohexene with MolForge

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Related Compounds

1,3,3,4,4,5,5,6,6-Nonafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexene
CID 12563819
1,3,3,4,4-Pentafluoro-2-[1,1,1,3,4,4,4-heptafluoro-2,3-bis(trifluoromethyl)butan-2-yl]cyclobutene
CID 12563821
3,3,4,4-Tetrafluoro-1,2-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclobutene
CID 14007676
1,3,3,4,4,5,5-Heptafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclopentene
CID 14007677
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
Perfluoro[3-methylbicyclo[4.3.0]-nona-1(6)-ene]
CID 623611
1,3,3,4,4,5,5,6,6-Nonafluoro-2-[2,2,3,3,4,4-hexafluoro-1-(1,2,2,3,3,4,4-heptafluorocyclobutyl)cyclobutyl]cyclohexene
CID 12563814
1,1,2,2,3,3,4,4,5,5,6-Undecafluoro-6-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)cyclohexane
CID 12563816
1-[1,1,1,3,3,4,4,5,5,5-Decafluoro-2-(trifluoromethyl)pentan-2-yl]-2,3,3,4,4-pentafluorocyclobutene
CID 12563822

Frequently Asked Questions

What is the IUPAC name of 1,3,3,4,4,5,6,6-octafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-5-(trifluoromethyl)cyclohexene?
The IUPAC name of 1,3,3,4,4,5,6,6-octafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-5-(trifluoromethyl)cyclohexene (CID 91695339) is 1,3,3,4,4,5,6,6-octafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-5-(trifluoromethyl)cyclohexene.
What is the SMILES notation for 1,3,3,4,4,5,6,6-octafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-5-(trifluoromethyl)cyclohexene?
The canonical SMILES for 1,3,3,4,4,5,6,6-octafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-5-(trifluoromethyl)cyclohexene is FC1=C(C(C(F)(F)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-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-5-(trifluoromethyl)cyclohexene?
The InChIKey is JODFBXNLRWMQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11F20/c12-2-1(3(8(20,21)22,9(23,24)25)10(26,27)28)4(13,14)7(18,19)6(17,5(2,15)16)11(29,30)31.
What are the key properties of 1,3,3,4,4,5,6,6-octafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-5-(trifluoromethyl)cyclohexene?
1,3,3,4,4,5,6,6-octafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-5-(trifluoromethyl)cyclohexene has a molecular weight of 512.08 g/mol, XLogP of 7.07, 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-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-5-(trifluoromethyl)cyclohexene is sourced from PubChem (CID 91695339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).