3,3,4,4,5,5,6,6-octafluorocyclohexen-1-ol

C6H2F8O — CID 23262860

IUPAC3,3,4,4,5,5,6,6-octafluorocyclohexen-1-ol
SMILESOC1=CC(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C6H2F8O/c7-3(8)1-2(15)4(9,10)6(13,14)5(3,11)12/h1,15H
InChIKeyWRDCANXKHYBUBU-UHFFFAOYSA-N
MW242.06 g/mol
LogP2.98
Rot. Bonds

About 3,3,4,4,5,5,6,6-octafluorocyclohexen-1-ol

3,3,4,4,5,5,6,6-octafluorocyclohexen-1-ol (PubChem CID 23262860) has the molecular formula C6H2F8O and a molecular weight of 242.06 g/mol. Its IUPAC name is 3,3,4,4,5,5,6,6-octafluorocyclohexen-1-ol.

Molecular Properties

Compound Name3,3,4,4,5,5,6,6-octafluorocyclohexen-1-ol
PubChem CID23262860
Molecular FormulaC6H2F8O
Molecular Weight242.06 g/mol
Exact Mass242.00
IUPAC Name3,3,4,4,5,5,6,6-octafluorocyclohexen-1-ol
SMILESOC1=CC(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C6H2F8O/c7-3(8)1-2(15)4(9,10)6(13,14)5(3,11)12/h1,15H
InChIKeyWRDCANXKHYBUBU-UHFFFAOYSA-N
XLogP2.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.06
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5,6,6-octafluorocyclohexen-1-ol?
The IUPAC name of 3,3,4,4,5,5,6,6-octafluorocyclohexen-1-ol (CID 23262860) is 3,3,4,4,5,5,6,6-octafluorocyclohexen-1-ol.
What is the SMILES notation for 3,3,4,4,5,5,6,6-octafluorocyclohexen-1-ol?
The canonical SMILES for 3,3,4,4,5,5,6,6-octafluorocyclohexen-1-ol is OC1=CC(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 3,3,4,4,5,5,6,6-octafluorocyclohexen-1-ol?
The InChIKey is WRDCANXKHYBUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F8O/c7-3(8)1-2(15)4(9,10)6(13,14)5(3,11)12/h1,15H.
What are the key properties of 3,3,4,4,5,5,6,6-octafluorocyclohexen-1-ol?
3,3,4,4,5,5,6,6-octafluorocyclohexen-1-ol has a molecular weight of 242.06 g/mol, XLogP of 2.98, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5,6,6-octafluorocyclohexen-1-ol is sourced from PubChem (CID 23262860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).