3,3,4,4,5,5,6,6-octafluoro-1,2-bis(2,2,2-trifluoroethoxy)cyclohexene

C10H4F14O2 — CID 155670464

IUPAC3,3,4,4,5,5,6,6-octafluoro-1,2-bis(2,2,2-trifluoroethoxy)cyclohexene
SMILESFC(F)(F)COC1=C(OCC(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C10H4F14O2/c11-5(12,13)1-25-3-4(26-2-6(14,15)16)8(19,20)10(23,24)9(21,22)7(3,17)18/h1-2H2
InChIKeyBJDLASDNHHGWDN-UHFFFAOYSA-N
MW422.11 g/mol
LogP4.91
Rot. Bonds4

About 3,3,4,4,5,5,6,6-octafluoro-1,2-bis(2,2,2-trifluoroethoxy)cyclohexene

3,3,4,4,5,5,6,6-octafluoro-1,2-bis(2,2,2-trifluoroethoxy)cyclohexene (PubChem CID 155670464) has the molecular formula C10H4F14O2 and a molecular weight of 422.11 g/mol. Its IUPAC name is 3,3,4,4,5,5,6,6-octafluoro-1,2-bis(2,2,2-trifluoroethoxy)cyclohexene.

Molecular Properties

Compound Name3,3,4,4,5,5,6,6-octafluoro-1,2-bis(2,2,2-trifluoroethoxy)cyclohexene
PubChem CID155670464
Molecular FormulaC10H4F14O2
Molecular Weight422.11 g/mol
Exact Mass422.00
IUPAC Name3,3,4,4,5,5,6,6-octafluoro-1,2-bis(2,2,2-trifluoroethoxy)cyclohexene
SMILESFC(F)(F)COC1=C(OCC(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C10H4F14O2/c11-5(12,13)1-25-3-4(26-2-6(14,15)16)8(19,20)10(23,24)9(21,22)7(3,17)18/h1-2H2
InChIKeyBJDLASDNHHGWDN-UHFFFAOYSA-N
XLogP4.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.11
LogP ≤ 54.91
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

Cyclohexene, 1-(2,2,2-trifluoroethoxy)nonafluoro-
CID 75376
1-Ethoxy-2,3,3,4,4,5,5,6,6-nonafluorocyclohex-1-ene
CID 75258
1-But-3-enoxy-2,3,3,4,4,5,5,6,6-nonafluorocyclohexene
CID 59259645
(E)-1,1,1,2,2,3,5,5,6,6,7,7,8,8,8-pentadecafluoro-4-(2,2,3,3-tetrafluoropropoxy)oct-3-ene
CID 89614750
1,3,3,4,4,5,5-Heptafluoro-2-[2,2,3,3-tetrafluoro-4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxybutoxy]cyclopentene
CID 134238175
2,3-Bis(2,2,2-trifluoroethoxy)oct-2-ene
CID 141403805
3,3,4,4,5,5,6,6-Octafluoro-1,2-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclohexene
CID 155670465
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
1,3,3,4,4,5,5-Heptafluoro-2-hexoxycyclopentene
CID 158958315
1,1,1,2,2,3,5,5,6,6,7,7,8,8,8-Pentadecafluoro-4-(2,2,3,3-tetrafluoropropoxy)oct-3-ene
CID 173511288
1,3,3,4,4-Pentafluoro-2-(2,2,3,3-tetrafluoropropoxy)cyclopentene
CID 175337705

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5,6,6-octafluoro-1,2-bis(2,2,2-trifluoroethoxy)cyclohexene?
The IUPAC name of 3,3,4,4,5,5,6,6-octafluoro-1,2-bis(2,2,2-trifluoroethoxy)cyclohexene (CID 155670464) is 3,3,4,4,5,5,6,6-octafluoro-1,2-bis(2,2,2-trifluoroethoxy)cyclohexene.
What is the SMILES notation for 3,3,4,4,5,5,6,6-octafluoro-1,2-bis(2,2,2-trifluoroethoxy)cyclohexene?
The canonical SMILES for 3,3,4,4,5,5,6,6-octafluoro-1,2-bis(2,2,2-trifluoroethoxy)cyclohexene is FC(F)(F)COC1=C(OCC(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 3,3,4,4,5,5,6,6-octafluoro-1,2-bis(2,2,2-trifluoroethoxy)cyclohexene?
The InChIKey is BJDLASDNHHGWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F14O2/c11-5(12,13)1-25-3-4(26-2-6(14,15)16)8(19,20)10(23,24)9(21,22)7(3,17)18/h1-2H2.
What are the key properties of 3,3,4,4,5,5,6,6-octafluoro-1,2-bis(2,2,2-trifluoroethoxy)cyclohexene?
3,3,4,4,5,5,6,6-octafluoro-1,2-bis(2,2,2-trifluoroethoxy)cyclohexene has a molecular weight of 422.11 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5,6,6-octafluoro-1,2-bis(2,2,2-trifluoroethoxy)cyclohexene is sourced from PubChem (CID 155670464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).