10-bromo-3-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene

C11H6BrF3O — CID 86052437

IUPAC10-bromo-3-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene
SMILESFC(F)(F)c1cccc2c1C1OC2C=C1Br
InChIInChI=1S/C11H6BrF3O/c12-7-4-8-5-2-1-3-6(11(13,14)15)9(5)10(7)16-8/h1-4,8,10H
InChIKeyXFVPGJRMEKVTLM-UHFFFAOYSA-N
MW291.07 g/mol
LogP4.11
Rot. Bonds

About 10-bromo-3-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene

10-bromo-3-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene (PubChem CID 86052437) has the molecular formula C11H6BrF3O and a molecular weight of 291.07 g/mol. Its IUPAC name is 10-bromo-3-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene.

Molecular Properties

Compound Name10-bromo-3-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene
PubChem CID86052437
Molecular FormulaC11H6BrF3O
Molecular Weight291.07 g/mol
Exact Mass289.96
IUPAC Name10-bromo-3-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene
SMILESFC(F)(F)c1cccc2c1C1OC2C=C1Br
InChIInChI=1S/C11H6BrF3O/c12-7-4-8-5-2-1-3-6(11(13,14)15)9(5)10(7)16-8/h1-4,8,10H
InChIKeyXFVPGJRMEKVTLM-UHFFFAOYSA-N
XLogP4.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.07
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 10-bromo-3-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene with MolForge

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Related Compounds

1,4-Dihydro-1,4-epoxynaphthalene
CID 97139
5-(Bromomethyl)-1,3-dihydro-2-benzofuran
CID 58200106
6,7-Difluoro-1,4-epoxy-1,4-dihydronaphthalene
CID 12037073
5,6,7,8-Tetrafluoro-1,4-dihydro-1,4-epoxynaphthalene
CID 13419514
4-(Bromomethyl)-1,3-dihydro-2-benzofuran
CID 156307240
(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
Benzene, 1-(2-bromo-1-methoxyethyl)-3-(trifluoromethyl)-
CID 10589008
6-Fluoro-1,4-dihydro-1,4-epoxynaphthalene
CID 12037071
6-(Trifluoromethyl)-1,4-dihydro-1,4-epoxynaphthalene
CID 12153293
1-(Trifluoromethyl)-1,3-dihydroisobenzofuran
CID 17873158

Frequently Asked Questions

What is the IUPAC name of 10-bromo-3-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene?
The IUPAC name of 10-bromo-3-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene (CID 86052437) is 10-bromo-3-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene.
What is the SMILES notation for 10-bromo-3-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene?
The canonical SMILES for 10-bromo-3-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene is FC(F)(F)c1cccc2c1C1OC2C=C1Br.
What is the InChIKey of 10-bromo-3-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene?
The InChIKey is XFVPGJRMEKVTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrF3O/c12-7-4-8-5-2-1-3-6(11(13,14)15)9(5)10(7)16-8/h1-4,8,10H.
What are the key properties of 10-bromo-3-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene?
10-bromo-3-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene has a molecular weight of 291.07 g/mol, XLogP of 4.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-bromo-3-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene is sourced from PubChem (CID 86052437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).