1,1,2,2,3,4,5,6-octafluorocyclohexane

C6H4F8 — CID 22495201

IUPAC1,1,2,2,3,4,5,6-octafluorocyclohexane
SMILESFC1C(F)C(F)C(F)(F)C(F)(F)C1F
InChIInChI=1S/C6H4F8/c7-1-2(8)4(10)6(13,14)5(11,12)3(1)9/h1-4H
InChIKeyRNCHYDBESOPKQF-UHFFFAOYSA-N
MW228.08 g/mol
LogP2.62
Rot. Bonds

About 1,1,2,2,3,4,5,6-octafluorocyclohexane

1,1,2,2,3,4,5,6-octafluorocyclohexane (PubChem CID 22495201) has the molecular formula C6H4F8 and a molecular weight of 228.08 g/mol. Its IUPAC name is 1,1,2,2,3,4,5,6-octafluorocyclohexane.

Molecular Properties

Compound Name1,1,2,2,3,4,5,6-octafluorocyclohexane
PubChem CID22495201
Molecular FormulaC6H4F8
Molecular Weight228.08 g/mol
Exact Mass228.02
IUPAC Name1,1,2,2,3,4,5,6-octafluorocyclohexane
SMILESFC1C(F)C(F)C(F)(F)C(F)(F)C1F
InChIInChI=1S/C6H4F8/c7-1-2(8)4(10)6(13,14)5(11,12)3(1)9/h1-4H
InChIKeyRNCHYDBESOPKQF-UHFFFAOYSA-N
XLogP2.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.08
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1-Difluorocyclohexane
CID 164586
Undecafluorocyclohexane
CID 67552
1,1,1,2,2,5,5,6,6,6-Decafluorohexane
CID 12025749
1,1,1,2,2,3,3,6,6,6-Decafluorohexane
CID 54399081
1,1,2,2,3,4,4,5,6-Nonafluorocyclohexane
CID 90744
1,1,2-Trifluorocyclohexane
CID 14092088
2,3,4,5,6-Pentafluorocyclohexane
CID 5232226
Hexafluorocyclohexane
CID 10607750
1,2,3,4-Tetrafluorocyclohexane
CID 20330103
cis-1,2,3,4,5,6-Hexafluorocyclohexane
CID 21910178
(1R,2R,3S,4S)-1,2,3,4-tetrafluorocyclohexane
CID 23234325
1,2,4,5-Tetrafluorocyclohexane
CID 44227791

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,4,5,6-octafluorocyclohexane?
The IUPAC name of 1,1,2,2,3,4,5,6-octafluorocyclohexane (CID 22495201) is 1,1,2,2,3,4,5,6-octafluorocyclohexane.
What is the SMILES notation for 1,1,2,2,3,4,5,6-octafluorocyclohexane?
The canonical SMILES for 1,1,2,2,3,4,5,6-octafluorocyclohexane is FC1C(F)C(F)C(F)(F)C(F)(F)C1F.
What is the InChIKey of 1,1,2,2,3,4,5,6-octafluorocyclohexane?
The InChIKey is RNCHYDBESOPKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F8/c7-1-2(8)4(10)6(13,14)5(11,12)3(1)9/h1-4H.
What are the key properties of 1,1,2,2,3,4,5,6-octafluorocyclohexane?
1,1,2,2,3,4,5,6-octafluorocyclohexane has a molecular weight of 228.08 g/mol, XLogP of 2.62, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,4,5,6-octafluorocyclohexane is sourced from PubChem (CID 22495201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).