(8R)-9,11-bis(2,2-dimethylpropyl)-3,4,5,6-tetrafluorotricyclo[6.2.2.02,7]dodeca-2(7),3,5,9,11-pentaene

C22H26F4 — CID 134955519

IUPAC(8R)-9,11-bis(2,2-dimethylpropyl)-3,4,5,6-tetrafluorotricyclo[6.2.2.02,7]dodeca-2(7),3,5,9,11-pentaene
SMILESCC(C)(C)CC1=C[C@@H]2C(CC(C)(C)C)=CC1c1c(F)c(F)c(F)c(F)c12
InChIInChI=1S/C22H26F4/c1-21(2,3)9-11-7-14-12(10-22(4,5)6)8-13(11)15-16(14)18(24)20(26)19(25)17(15)23/h7-8,13-14H,9-10H2,1-6H3/t13-,14?/m1/s1
InChIKeyYPAFYFSRTIIRPC-KWCCSABGSA-N
MW366.44 g/mol
LogP7.16
Rot. Bonds2

About (8R)-9,11-bis(2,2-dimethylpropyl)-3,4,5,6-tetrafluorotricyclo[6.2.2.02,7]dodeca-2(7),3,5,9,11-pentaene

(8R)-9,11-bis(2,2-dimethylpropyl)-3,4,5,6-tetrafluorotricyclo[6.2.2.02,7]dodeca-2(7),3,5,9,11-pentaene (PubChem CID 134955519) has the molecular formula C22H26F4 and a molecular weight of 366.44 g/mol. Its IUPAC name is (8R)-9,11-bis(2,2-dimethylpropyl)-3,4,5,6-tetrafluorotricyclo[6.2.2.02,7]dodeca-2(7),3,5,9,11-pentaene.

Molecular Properties

Compound Name(8R)-9,11-bis(2,2-dimethylpropyl)-3,4,5,6-tetrafluorotricyclo[6.2.2.02,7]dodeca-2(7),3,5,9,11-pentaene
PubChem CID134955519
Molecular FormulaC22H26F4
Molecular Weight366.44 g/mol
Exact Mass366.20
IUPAC Name(8R)-9,11-bis(2,2-dimethylpropyl)-3,4,5,6-tetrafluorotricyclo[6.2.2.02,7]dodeca-2(7),3,5,9,11-pentaene
SMILESCC(C)(C)CC1=C[C@@H]2C(CC(C)(C)C)=CC1c1c(F)c(F)c(F)c(F)c12
InChIInChI=1S/C22H26F4/c1-21(2,3)9-11-7-14-12(10-22(4,5)6)8-13(11)15-16(14)18(24)20(26)19(25)17(15)23/h7-8,13-14H,9-10H2,1-6H3/t13-,14?/m1/s1
InChIKeyYPAFYFSRTIIRPC-KWCCSABGSA-N
XLogP7.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.44
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (8R)-9,11-bis(2,2-dimethylpropyl)-3,4,5,6-tetrafluorotricyclo[6.2.2.02,7]dodeca-2(7),3,5,9,11-pentaene 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 (8R)-9,11-bis(2,2-dimethylpropyl)-3,4,5,6-tetrafluorotricyclo[6.2.2.02,7]dodeca-2(7),3,5,9,11-pentaene?
The IUPAC name of (8R)-9,11-bis(2,2-dimethylpropyl)-3,4,5,6-tetrafluorotricyclo[6.2.2.02,7]dodeca-2(7),3,5,9,11-pentaene (CID 134955519) is (8R)-9,11-bis(2,2-dimethylpropyl)-3,4,5,6-tetrafluorotricyclo[6.2.2.02,7]dodeca-2(7),3,5,9,11-pentaene.
What is the SMILES notation for (8R)-9,11-bis(2,2-dimethylpropyl)-3,4,5,6-tetrafluorotricyclo[6.2.2.02,7]dodeca-2(7),3,5,9,11-pentaene?
The canonical SMILES for (8R)-9,11-bis(2,2-dimethylpropyl)-3,4,5,6-tetrafluorotricyclo[6.2.2.02,7]dodeca-2(7),3,5,9,11-pentaene is CC(C)(C)CC1=C[C@@H]2C(CC(C)(C)C)=CC1c1c(F)c(F)c(F)c(F)c12.
What is the InChIKey of (8R)-9,11-bis(2,2-dimethylpropyl)-3,4,5,6-tetrafluorotricyclo[6.2.2.02,7]dodeca-2(7),3,5,9,11-pentaene?
The InChIKey is YPAFYFSRTIIRPC-KWCCSABGSA-N. The full InChI is InChI=1S/C22H26F4/c1-21(2,3)9-11-7-14-12(10-22(4,5)6)8-13(11)15-16(14)18(24)20(26)19(25)17(15)23/h7-8,13-14H,9-10H2,1-6H3/t13-,14?/m1/s1.
What are the key properties of (8R)-9,11-bis(2,2-dimethylpropyl)-3,4,5,6-tetrafluorotricyclo[6.2.2.02,7]dodeca-2(7),3,5,9,11-pentaene?
(8R)-9,11-bis(2,2-dimethylpropyl)-3,4,5,6-tetrafluorotricyclo[6.2.2.02,7]dodeca-2(7),3,5,9,11-pentaene has a molecular weight of 366.44 g/mol, XLogP of 7.16, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-9,11-bis(2,2-dimethylpropyl)-3,4,5,6-tetrafluorotricyclo[6.2.2.02,7]dodeca-2(7),3,5,9,11-pentaene is sourced from PubChem (CID 134955519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).