4-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene

C11H9F3O — CID 70309621

IUPAC4-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
SMILESFC(F)(F)c1ccc2c(c1)C1CCC2O1
InChIInChI=1S/C11H9F3O/c12-11(13,14)6-1-2-7-8(5-6)10-4-3-9(7)15-10/h1-2,5,9-10H,3-4H2
InChIKeyCIBUILBGTCWKLK-UHFFFAOYSA-N
MW214.19 g/mol
LogP3.61
Rot. Bonds

About 4-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene

4-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene (PubChem CID 70309621) has the molecular formula C11H9F3O and a molecular weight of 214.19 g/mol. Its IUPAC name is 4-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene.

Molecular Properties

Compound Name4-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
PubChem CID70309621
Molecular FormulaC11H9F3O
Molecular Weight214.19 g/mol
Exact Mass214.06
IUPAC Name4-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
SMILESFC(F)(F)c1ccc2c(c1)C1CCC2O1
InChIInChI=1S/C11H9F3O/c12-11(13,14)6-1-2-7-8(5-6)10-4-3-9(7)15-10/h1-2,5,9-10H,3-4H2
InChIKeyCIBUILBGTCWKLK-UHFFFAOYSA-N
XLogP3.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene with MolForge

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

Launch Full Analysis

Related Compounds

1-(4'-Fluorophenyl)-1,3-DihydroIsobenzofuran-5-Carbonitrile
CID 9856159
1,4-Dihydro-1,4-epoxynaphthalene
CID 97139
1,4-Epoxy-1,2,3,4-tetrahydronaphthalene
CID 141969
6,7-Difluoro-1,4-epoxy-1,4-dihydronaphthalene
CID 12037073
1,4-Epoxyanthracene, 1,4-dihydro-
CID 312131
2-[4-Methyl-3-(trifluoromethyl)phenyl]oxirane
CID 139822692
2-(3,3-Difluoro-1-methoxypropyl)naphthalene
CID 132514348
(1R,4S)-6,7-difluoro-1,4-dihydro-1,4-epoxynaphthalene
CID 10749858
(12R,15S)-2,2,3,3,8,8,9,9-octafluoro-19-oxapentacyclo[8.6.2.24,7.112,15.011,16]henicosa-1(16),4,6,10,13,17,20-heptaene
CID 10884261
5-Fluoro-1,4-dihydro-1,4-epoxynaphthalene
CID 45090759
(3aS,9bR)-8-(trifluoromethyl)-1,2,3a,4,5,9b-hexahydrobenzo[e][1]benzofuran
CID 177856792
6-Fluoro-1,4-dihydro-1,4-epoxynaphthalene
CID 12037071

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene?
The IUPAC name of 4-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene (CID 70309621) is 4-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene.
What is the SMILES notation for 4-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene?
The canonical SMILES for 4-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene is FC(F)(F)c1ccc2c(c1)C1CCC2O1.
What is the InChIKey of 4-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene?
The InChIKey is CIBUILBGTCWKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3O/c12-11(13,14)6-1-2-7-8(5-6)10-4-3-9(7)15-10/h1-2,5,9-10H,3-4H2.
What are the key properties of 4-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene?
4-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene has a molecular weight of 214.19 g/mol, XLogP of 3.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene is sourced from PubChem (CID 70309621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).