(1R,8S)-4-(trifluoromethoxy)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene

C11H7F3O2 — CID 11075153

IUPAC(1R,8S)-4-(trifluoromethoxy)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene
SMILESFC(F)(F)Oc1ccc2c(c1)[C@H]1C=C[C@@H]2O1
InChIInChI=1S/C11H7F3O2/c12-11(13,14)16-6-1-2-7-8(5-6)10-4-3-9(7)15-10/h1-5,9-10H/t9-,10+/m0/s1
InChIKeySLHWRTRCMPXMAM-VHSXEESVSA-N
MW228.17 g/mol
LogP3.27
Rot. Bonds1

About (1R,8S)-4-(trifluoromethoxy)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene

(1R,8S)-4-(trifluoromethoxy)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene (PubChem CID 11075153) has the molecular formula C11H7F3O2 and a molecular weight of 228.17 g/mol. Its IUPAC name is (1R,8S)-4-(trifluoromethoxy)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene.

Molecular Properties

Compound Name(1R,8S)-4-(trifluoromethoxy)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene
PubChem CID11075153
Molecular FormulaC11H7F3O2
Molecular Weight228.17 g/mol
Exact Mass228.04
IUPAC Name(1R,8S)-4-(trifluoromethoxy)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene
SMILESFC(F)(F)Oc1ccc2c(c1)[C@H]1C=C[C@@H]2O1
InChIInChI=1S/C11H7F3O2/c12-11(13,14)16-6-1-2-7-8(5-6)10-4-3-9(7)15-10/h1-5,9-10H/t9-,10+/m0/s1
InChIKeySLHWRTRCMPXMAM-VHSXEESVSA-N
XLogP3.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,8R,9R,10S)-9,10-dibromo-4-(trifluoromethoxy)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
CID 11047353
5-(trifluoromethoxy)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene-9-carboxylic acid
CID 15533620
(1R,8R)-4-(trifluoromethoxy)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene-9-carboxylic acid
CID 10923663
4-(trifluoromethoxy)-6,6a-dihydro-1aH-indeno[1,2-b]oxirene
CID 142618085
2,2-dimethyl-6-(trifluoromethoxy)-1a,7b-dihydrooxireno[2,3-c]chromene
CID 14857401
1,3-bis[3-(trifluoromethoxy)phenoxy]benzene
CID 154161092
2-bromo-6-(trifluoromethoxy)naphthalene
CID 57429270
bis[3-(trifluoromethoxy)phenyl]iodanium
CID 175669102
(4R)-6-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 91844836
2-bromo-7-(trifluoromethoxy)naphthalene
CID 57429269
1,2-di(propan-2-yl)-4-(trifluoromethoxy)benzene
CID 59455097
3-[2-chloro-4-(trifluoromethoxy)phenyl]azetidine
CID 139510289

Frequently Asked Questions

What is the IUPAC name of (1R,8S)-4-(trifluoromethoxy)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene?
The IUPAC name of (1R,8S)-4-(trifluoromethoxy)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene (CID 11075153) is (1R,8S)-4-(trifluoromethoxy)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene.
What is the SMILES notation for (1R,8S)-4-(trifluoromethoxy)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene?
The canonical SMILES for (1R,8S)-4-(trifluoromethoxy)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene is FC(F)(F)Oc1ccc2c(c1)[C@H]1C=C[C@@H]2O1.
What is the InChIKey of (1R,8S)-4-(trifluoromethoxy)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene?
The InChIKey is SLHWRTRCMPXMAM-VHSXEESVSA-N. The full InChI is InChI=1S/C11H7F3O2/c12-11(13,14)16-6-1-2-7-8(5-6)10-4-3-9(7)15-10/h1-5,9-10H/t9-,10+/m0/s1.
What are the key properties of (1R,8S)-4-(trifluoromethoxy)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene?
(1R,8S)-4-(trifluoromethoxy)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene has a molecular weight of 228.17 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8S)-4-(trifluoromethoxy)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene is sourced from PubChem (CID 11075153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).