3,3,4-trifluoro-4-(trifluoromethoxy)tricyclo[4.2.1.02,5]non-7-ene

C10H8F6O — CID 20754261

IUPAC3,3,4-trifluoro-4-(trifluoromethoxy)tricyclo[4.2.1.02,5]non-7-ene
SMILESFC(F)(F)OC1(F)C2C3C=CC(C3)C2C1(F)F
InChIInChI=1S/C10H8F6O/c11-8(12)6-4-1-2-5(3-4)7(6)9(8,13)17-10(14,15)16/h1-2,4-7H,3H2
InChIKeyCWWSWCLFWNRXDU-UHFFFAOYSA-N
MW258.16 g/mol
LogP3.28
Rot. Bonds1

About 3,3,4-trifluoro-4-(trifluoromethoxy)tricyclo[4.2.1.02,5]non-7-ene

3,3,4-trifluoro-4-(trifluoromethoxy)tricyclo[4.2.1.02,5]non-7-ene (PubChem CID 20754261) has the molecular formula C10H8F6O and a molecular weight of 258.16 g/mol. Its IUPAC name is 3,3,4-trifluoro-4-(trifluoromethoxy)tricyclo[4.2.1.02,5]non-7-ene.

Molecular Properties

Compound Name3,3,4-trifluoro-4-(trifluoromethoxy)tricyclo[4.2.1.02,5]non-7-ene
PubChem CID20754261
Molecular FormulaC10H8F6O
Molecular Weight258.16 g/mol
Exact Mass258.05
IUPAC Name3,3,4-trifluoro-4-(trifluoromethoxy)tricyclo[4.2.1.02,5]non-7-ene
SMILESFC(F)(F)OC1(F)C2C3C=CC(C3)C2C1(F)F
InChIInChI=1S/C10H8F6O/c11-8(12)6-4-1-2-5(3-4)7(6)9(8,13)17-10(14,15)16/h1-2,4-7H,3H2
InChIKeyCWWSWCLFWNRXDU-UHFFFAOYSA-N
XLogP3.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,3,4-trifluoro-4-(trifluoromethoxy)tricyclo[4.2.1.02,5]non-7-ene 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 3,3,4-trifluoro-4-(trifluoromethoxy)tricyclo[4.2.1.02,5]non-7-ene?
The IUPAC name of 3,3,4-trifluoro-4-(trifluoromethoxy)tricyclo[4.2.1.02,5]non-7-ene (CID 20754261) is 3,3,4-trifluoro-4-(trifluoromethoxy)tricyclo[4.2.1.02,5]non-7-ene.
What is the SMILES notation for 3,3,4-trifluoro-4-(trifluoromethoxy)tricyclo[4.2.1.02,5]non-7-ene?
The canonical SMILES for 3,3,4-trifluoro-4-(trifluoromethoxy)tricyclo[4.2.1.02,5]non-7-ene is FC(F)(F)OC1(F)C2C3C=CC(C3)C2C1(F)F.
What is the InChIKey of 3,3,4-trifluoro-4-(trifluoromethoxy)tricyclo[4.2.1.02,5]non-7-ene?
The InChIKey is CWWSWCLFWNRXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F6O/c11-8(12)6-4-1-2-5(3-4)7(6)9(8,13)17-10(14,15)16/h1-2,4-7H,3H2.
What are the key properties of 3,3,4-trifluoro-4-(trifluoromethoxy)tricyclo[4.2.1.02,5]non-7-ene?
3,3,4-trifluoro-4-(trifluoromethoxy)tricyclo[4.2.1.02,5]non-7-ene has a molecular weight of 258.16 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4-trifluoro-4-(trifluoromethoxy)tricyclo[4.2.1.02,5]non-7-ene is sourced from PubChem (CID 20754261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).