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

C11H7F3O — CID 98125559

IUPAC(1S,8S)-4-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene
SMILESFC(F)(F)c1ccc2c(c1)[C@@H]1C=C[C@@H]2O1
InChIInChI=1S/C11H7F3O/c12-11(13,14)6-1-2-7-8(5-6)10-4-3-9(7)15-10/h1-5,9-10H/t9-,10-/m0/s1
InChIKeyDVUOBDNEIQEEHF-UWVGGRQHSA-N
MW212.17 g/mol
LogP3.39
Rot. Bonds

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

(1S,8S)-4-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene (PubChem CID 98125559) has the molecular formula C11H7F3O and a molecular weight of 212.17 g/mol. Its IUPAC name is (1S,8S)-4-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene.

Molecular Properties

Compound Name(1S,8S)-4-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene
PubChem CID98125559
Molecular FormulaC11H7F3O
Molecular Weight212.17 g/mol
Exact Mass212.04
IUPAC Name(1S,8S)-4-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene
SMILESFC(F)(F)c1ccc2c(c1)[C@@H]1C=C[C@@H]2O1
InChIInChI=1S/C11H7F3O/c12-11(13,14)6-1-2-7-8(5-6)10-4-3-9(7)15-10/h1-5,9-10H/t9-,10-/m0/s1
InChIKeyDVUOBDNEIQEEHF-UWVGGRQHSA-N
XLogP3.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.17
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,8S)-4-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene?
The IUPAC name of (1S,8S)-4-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene (CID 98125559) is (1S,8S)-4-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene.
What is the SMILES notation for (1S,8S)-4-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene?
The canonical SMILES for (1S,8S)-4-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene is FC(F)(F)c1ccc2c(c1)[C@@H]1C=C[C@@H]2O1.
What is the InChIKey of (1S,8S)-4-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene?
The InChIKey is DVUOBDNEIQEEHF-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H7F3O/c12-11(13,14)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 (1S,8S)-4-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene?
(1S,8S)-4-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene has a molecular weight of 212.17 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8S)-4-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene is sourced from PubChem (CID 98125559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).