2,3,3,4,4,5,5,6-octafluorotricyclo[5.2.1.02,6]decan-8-ol

C10H8F8O — CID 12040131

IUPAC2,3,3,4,4,5,5,6-octafluorotricyclo[5.2.1.02,6]decan-8-ol
SMILESOC1CC2CC1C1(F)C(F)(F)C(F)(F)C(F)(F)C21F
InChIInChI=1S/C10H8F8O/c11-6-3-1-4(5(19)2-3)7(6,12)9(15,16)10(17,18)8(6,13)14/h3-5,19H,1-2H2
InChIKeyRGJOHXUFFNQOSG-UHFFFAOYSA-N
MW296.16 g/mol
LogP2.72
Rot. Bonds

About 2,3,3,4,4,5,5,6-octafluorotricyclo[5.2.1.02,6]decan-8-ol

2,3,3,4,4,5,5,6-octafluorotricyclo[5.2.1.02,6]decan-8-ol (PubChem CID 12040131) has the molecular formula C10H8F8O and a molecular weight of 296.16 g/mol. Its IUPAC name is 2,3,3,4,4,5,5,6-octafluorotricyclo[5.2.1.02,6]decan-8-ol.

Molecular Properties

Compound Name2,3,3,4,4,5,5,6-octafluorotricyclo[5.2.1.02,6]decan-8-ol
PubChem CID12040131
Molecular FormulaC10H8F8O
Molecular Weight296.16 g/mol
Exact Mass296.04
IUPAC Name2,3,3,4,4,5,5,6-octafluorotricyclo[5.2.1.02,6]decan-8-ol
SMILESOC1CC2CC1C1(F)C(F)(F)C(F)(F)C(F)(F)C21F
InChIInChI=1S/C10H8F8O/c11-6-3-1-4(5(19)2-3)7(6,12)9(15,16)10(17,18)8(6,13)14/h3-5,19H,1-2H2
InChIKeyRGJOHXUFFNQOSG-UHFFFAOYSA-N
XLogP2.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,3,3,4,4,5,5,6-octafluorotricyclo[5.2.1.02,6]decan-8-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3,3,4,4,5,5,6-octafluorotricyclo[5.2.1.02,6]decan-8-ol?
The IUPAC name of 2,3,3,4,4,5,5,6-octafluorotricyclo[5.2.1.02,6]decan-8-ol (CID 12040131) is 2,3,3,4,4,5,5,6-octafluorotricyclo[5.2.1.02,6]decan-8-ol.
What is the SMILES notation for 2,3,3,4,4,5,5,6-octafluorotricyclo[5.2.1.02,6]decan-8-ol?
The canonical SMILES for 2,3,3,4,4,5,5,6-octafluorotricyclo[5.2.1.02,6]decan-8-ol is OC1CC2CC1C1(F)C(F)(F)C(F)(F)C(F)(F)C21F.
What is the InChIKey of 2,3,3,4,4,5,5,6-octafluorotricyclo[5.2.1.02,6]decan-8-ol?
The InChIKey is RGJOHXUFFNQOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F8O/c11-6-3-1-4(5(19)2-3)7(6,12)9(15,16)10(17,18)8(6,13)14/h3-5,19H,1-2H2.
What are the key properties of 2,3,3,4,4,5,5,6-octafluorotricyclo[5.2.1.02,6]decan-8-ol?
2,3,3,4,4,5,5,6-octafluorotricyclo[5.2.1.02,6]decan-8-ol has a molecular weight of 296.16 g/mol, XLogP of 2.72, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,4,4,5,5,6-octafluorotricyclo[5.2.1.02,6]decan-8-ol is sourced from PubChem (CID 12040131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).