(1S,8R)-4,5-difluoro-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene

C10H6F2O — CID 10749858

IUPAC(1S,8R)-4,5-difluoro-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
SMILESFc1cc2c(cc1F)[C@H]1C=C[C@@H]2O1
InChIInChI=1S/C10H6F2O/c11-7-3-5-6(4-8(7)12)10-2-1-9(5)13-10/h1-4,9-10H/t9-,10+
InChIKeyZPPOWALWUZIHJZ-AOOOYVTPSA-N
MW180.15 g/mol
LogP2.65
Rot. Bonds

About (1S,8R)-4,5-difluoro-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene

(1S,8R)-4,5-difluoro-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene (PubChem CID 10749858) has the molecular formula C10H6F2O and a molecular weight of 180.15 g/mol. Its IUPAC name is (1S,8R)-4,5-difluoro-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene.

Molecular Properties

Compound Name(1S,8R)-4,5-difluoro-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
PubChem CID10749858
Molecular FormulaC10H6F2O
Molecular Weight180.15 g/mol
Exact Mass180.04
IUPAC Name(1S,8R)-4,5-difluoro-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
SMILESFc1cc2c(cc1F)[C@H]1C=C[C@@H]2O1
InChIInChI=1S/C10H6F2O/c11-7-3-5-6(4-8(7)12)10-2-1-9(5)13-10/h1-4,9-10H/t9-,10+
InChIKeyZPPOWALWUZIHJZ-AOOOYVTPSA-N
XLogP2.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.15
LogP ≤ 52.65
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,8R)-4,5-difluoro-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene?
The IUPAC name of (1S,8R)-4,5-difluoro-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene (CID 10749858) is (1S,8R)-4,5-difluoro-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene.
What is the SMILES notation for (1S,8R)-4,5-difluoro-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene?
The canonical SMILES for (1S,8R)-4,5-difluoro-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene is Fc1cc2c(cc1F)[C@H]1C=C[C@@H]2O1.
What is the InChIKey of (1S,8R)-4,5-difluoro-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene?
The InChIKey is ZPPOWALWUZIHJZ-AOOOYVTPSA-N. The full InChI is InChI=1S/C10H6F2O/c11-7-3-5-6(4-8(7)12)10-2-1-9(5)13-10/h1-4,9-10H/t9-,10+.
What are the key properties of (1S,8R)-4,5-difluoro-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene?
(1S,8R)-4,5-difluoro-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene has a molecular weight of 180.15 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8R)-4,5-difluoro-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene is sourced from PubChem (CID 10749858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).