8,9-bis(trifluoromethyl)tricyclo[5.2.1.01,5]deca-2,5,8-triene

C12H8F6 — CID 12814402

IUPAC8,9-bis(trifluoromethyl)tricyclo[5.2.1.01,5]deca-2,5,8-triene
SMILESFC(F)(F)C1=C(C(F)(F)F)C23C=CCC2=CC1C3
InChIInChI=1S/C12H8F6/c13-11(14,15)8-6-4-7-2-1-3-10(7,5-6)9(8)12(16,17)18/h1,3-4,6H,2,5H2
InChIKeySQYUDHXBHJVTDD-UHFFFAOYSA-N
MW266.18 g/mol
LogP4.31
Rot. Bonds

About 8,9-bis(trifluoromethyl)tricyclo[5.2.1.01,5]deca-2,5,8-triene

8,9-bis(trifluoromethyl)tricyclo[5.2.1.01,5]deca-2,5,8-triene (PubChem CID 12814402) has the molecular formula C12H8F6 and a molecular weight of 266.18 g/mol. Its IUPAC name is 8,9-bis(trifluoromethyl)tricyclo[5.2.1.01,5]deca-2,5,8-triene.

Molecular Properties

Compound Name8,9-bis(trifluoromethyl)tricyclo[5.2.1.01,5]deca-2,5,8-triene
PubChem CID12814402
Molecular FormulaC12H8F6
Molecular Weight266.18 g/mol
Exact Mass266.05
IUPAC Name8,9-bis(trifluoromethyl)tricyclo[5.2.1.01,5]deca-2,5,8-triene
SMILESFC(F)(F)C1=C(C(F)(F)F)C23C=CCC2=CC1C3
InChIInChI=1S/C12H8F6/c13-11(14,15)8-6-4-7-2-1-3-10(7,5-6)9(8)12(16,17)18/h1,3-4,6H,2,5H2
InChIKeySQYUDHXBHJVTDD-UHFFFAOYSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(1,1,1,3,3,3-Hexafluoro-2-methylpropan-2-yl)bicyclo[2.2.1]hepta-2,5-diene
CID 20760925
2-(3,3,4,4,5,5-Hexafluoropentyl)bicyclo[2.2.1]hepta-2,5-diene
CID 57628917
2-(3,3,4,4,5,5,7,7,8,8,9,9-Dodecafluorononyl)bicyclo[2.2.1]hepta-2,5-diene
CID 57629072
1-(1,1,2,2,3,3,4,4,4-Nonafluorobutyl)bicyclo[2.2.1]hept-2-ene
CID 88417769
2-(4,4,5,5-Tetrafluoropentyl)bicyclo[2.2.1]hepta-2,5-diene
CID 88894469
2-(4,4,5,5,8,8,9,9-Octafluorononyl)bicyclo[2.2.1]hepta-2,5-diene
CID 88894476
2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluorononyl)bicyclo[2.2.1]hepta-2,5-diene
CID 88896279
2-(2,2,3,3,4,4,5,5-Octafluoropentyl)bicyclo[2.2.1]hepta-2,5-diene
CID 88896348
1-(Tridecafluorohexyl)bicyclo[2.2.1]hept-2-ene
CID 20218133
1,7,8,9,10,10-Hexafluorotricyclo[5.2.1.02,6]deca-2(6),3,8-triene
CID 23233731
1,8,9,10,11,11-Hexafluorotetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4,9-triene
CID 23233732
1-(3,3,3-Trifluoropropyl)bicyclo[2.2.1]hept-2-ene
CID 150614853

Frequently Asked Questions

What is the IUPAC name of 8,9-bis(trifluoromethyl)tricyclo[5.2.1.01,5]deca-2,5,8-triene?
The IUPAC name of 8,9-bis(trifluoromethyl)tricyclo[5.2.1.01,5]deca-2,5,8-triene (CID 12814402) is 8,9-bis(trifluoromethyl)tricyclo[5.2.1.01,5]deca-2,5,8-triene.
What is the SMILES notation for 8,9-bis(trifluoromethyl)tricyclo[5.2.1.01,5]deca-2,5,8-triene?
The canonical SMILES for 8,9-bis(trifluoromethyl)tricyclo[5.2.1.01,5]deca-2,5,8-triene is FC(F)(F)C1=C(C(F)(F)F)C23C=CCC2=CC1C3.
What is the InChIKey of 8,9-bis(trifluoromethyl)tricyclo[5.2.1.01,5]deca-2,5,8-triene?
The InChIKey is SQYUDHXBHJVTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F6/c13-11(14,15)8-6-4-7-2-1-3-10(7,5-6)9(8)12(16,17)18/h1,3-4,6H,2,5H2.
What are the key properties of 8,9-bis(trifluoromethyl)tricyclo[5.2.1.01,5]deca-2,5,8-triene?
8,9-bis(trifluoromethyl)tricyclo[5.2.1.01,5]deca-2,5,8-triene has a molecular weight of 266.18 g/mol, XLogP of 4.31, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-bis(trifluoromethyl)tricyclo[5.2.1.01,5]deca-2,5,8-triene is sourced from PubChem (CID 12814402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).