8-fluoro-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol

C9H10FNO2 — CID 123233301

IUPAC8-fluoro-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol
SMILESOc1[nH]c(O)c2c1C1CC(F)C2C1
InChIInChI=1S/C9H10FNO2/c10-5-2-3-1-4(5)7-6(3)8(12)11-9(7)13/h3-5,11-13H,1-2H2
InChIKeyFRYCBAXNJSTARP-UHFFFAOYSA-N
MW183.18 g/mol
LogP1.74
Rot. Bonds

About 8-fluoro-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol

8-fluoro-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol (PubChem CID 123233301) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is 8-fluoro-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol.

Molecular Properties

Compound Name8-fluoro-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol
PubChem CID123233301
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Name8-fluoro-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol
SMILESOc1[nH]c(O)c2c1C1CC(F)C2C1
InChIInChI=1S/C9H10FNO2/c10-5-2-3-1-4(5)7-6(3)8(12)11-9(7)13/h3-5,11-13H,1-2H2
InChIKeyFRYCBAXNJSTARP-UHFFFAOYSA-N
XLogP1.74
TPSA56.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol?
The IUPAC name of 8-fluoro-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol (CID 123233301) is 8-fluoro-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol.
What is the SMILES notation for 8-fluoro-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol?
The canonical SMILES for 8-fluoro-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol is Oc1[nH]c(O)c2c1C1CC(F)C2C1.
What is the InChIKey of 8-fluoro-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol?
The InChIKey is FRYCBAXNJSTARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2/c10-5-2-3-1-4(5)7-6(3)8(12)11-9(7)13/h3-5,11-13H,1-2H2.
What are the key properties of 8-fluoro-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol?
8-fluoro-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol has a molecular weight of 183.18 g/mol, XLogP of 1.74, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol is sourced from PubChem (CID 123233301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).