(1S,8S,9R)-3,4,5,6-tetrafluorotricyclo[6.2.2.02,7]dodeca-2(7),3,5-trien-9-ol

C12H10F4O — CID 23264808

IUPAC(1S,8S,9R)-3,4,5,6-tetrafluorotricyclo[6.2.2.02,7]dodeca-2(7),3,5-trien-9-ol
SMILESO[C@@H]1C[C@@H]2CC[C@H]1c1c(F)c(F)c(F)c(F)c12
InChIInChI=1S/C12H10F4O/c13-9-7-4-1-2-5(6(17)3-4)8(7)10(14)12(16)11(9)15/h4-6,17H,1-3H2/t4-,5+,6+/m0/s1
InChIKeyPVIBRBAJCSEOKY-KVQBGUIXSA-N
MW246.20 g/mol
LogP2.97
Rot. Bonds

About (1S,8S,9R)-3,4,5,6-tetrafluorotricyclo[6.2.2.02,7]dodeca-2(7),3,5-trien-9-ol

(1S,8S,9R)-3,4,5,6-tetrafluorotricyclo[6.2.2.02,7]dodeca-2(7),3,5-trien-9-ol (PubChem CID 23264808) has the molecular formula C12H10F4O and a molecular weight of 246.20 g/mol. Its IUPAC name is (1S,8S,9R)-3,4,5,6-tetrafluorotricyclo[6.2.2.02,7]dodeca-2(7),3,5-trien-9-ol.

Molecular Properties

Compound Name(1S,8S,9R)-3,4,5,6-tetrafluorotricyclo[6.2.2.02,7]dodeca-2(7),3,5-trien-9-ol
PubChem CID23264808
Molecular FormulaC12H10F4O
Molecular Weight246.20 g/mol
Exact Mass246.07
IUPAC Name(1S,8S,9R)-3,4,5,6-tetrafluorotricyclo[6.2.2.02,7]dodeca-2(7),3,5-trien-9-ol
SMILESO[C@@H]1C[C@@H]2CC[C@H]1c1c(F)c(F)c(F)c(F)c12
InChIInChI=1S/C12H10F4O/c13-9-7-4-1-2-5(6(17)3-4)8(7)10(14)12(16)11(9)15/h4-6,17H,1-3H2/t4-,5+,6+/m0/s1
InChIKeyPVIBRBAJCSEOKY-KVQBGUIXSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.20
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze (1S,8S,9R)-3,4,5,6-tetrafluorotricyclo[6.2.2.02,7]dodeca-2(7),3,5-trien-9-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 (1S,8S,9R)-3,4,5,6-tetrafluorotricyclo[6.2.2.02,7]dodeca-2(7),3,5-trien-9-ol?
The IUPAC name of (1S,8S,9R)-3,4,5,6-tetrafluorotricyclo[6.2.2.02,7]dodeca-2(7),3,5-trien-9-ol (CID 23264808) is (1S,8S,9R)-3,4,5,6-tetrafluorotricyclo[6.2.2.02,7]dodeca-2(7),3,5-trien-9-ol.
What is the SMILES notation for (1S,8S,9R)-3,4,5,6-tetrafluorotricyclo[6.2.2.02,7]dodeca-2(7),3,5-trien-9-ol?
The canonical SMILES for (1S,8S,9R)-3,4,5,6-tetrafluorotricyclo[6.2.2.02,7]dodeca-2(7),3,5-trien-9-ol is O[C@@H]1C[C@@H]2CC[C@H]1c1c(F)c(F)c(F)c(F)c12.
What is the InChIKey of (1S,8S,9R)-3,4,5,6-tetrafluorotricyclo[6.2.2.02,7]dodeca-2(7),3,5-trien-9-ol?
The InChIKey is PVIBRBAJCSEOKY-KVQBGUIXSA-N. The full InChI is InChI=1S/C12H10F4O/c13-9-7-4-1-2-5(6(17)3-4)8(7)10(14)12(16)11(9)15/h4-6,17H,1-3H2/t4-,5+,6+/m0/s1.
What are the key properties of (1S,8S,9R)-3,4,5,6-tetrafluorotricyclo[6.2.2.02,7]dodeca-2(7),3,5-trien-9-ol?
(1S,8S,9R)-3,4,5,6-tetrafluorotricyclo[6.2.2.02,7]dodeca-2(7),3,5-trien-9-ol has a molecular weight of 246.20 g/mol, XLogP of 2.97, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8S,9R)-3,4,5,6-tetrafluorotricyclo[6.2.2.02,7]dodeca-2(7),3,5-trien-9-ol is sourced from PubChem (CID 23264808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).