5-fluorocyclobuta[b]quinoxaline-1,2-diol

C10H5FN2O2 — CID 135502848

IUPAC5-fluorocyclobuta[b]quinoxaline-1,2-diol
SMILESOC1=C(O)c2nc3cc(F)ccc3nc21
InChIInChI=1S/C10H5FN2O2/c11-4-1-2-5-6(3-4)13-8-7(12-5)9(14)10(8)15/h1-3,14-15H
InChIKeyPTBHOKXSPZHBPB-UHFFFAOYSA-N
MW204.16 g/mol
LogP2.02
Rot. Bonds

About 5-fluorocyclobuta[b]quinoxaline-1,2-diol

5-fluorocyclobuta[b]quinoxaline-1,2-diol (PubChem CID 135502848) has the molecular formula C10H5FN2O2 and a molecular weight of 204.16 g/mol. Its IUPAC name is 5-fluorocyclobuta[b]quinoxaline-1,2-diol.

Molecular Properties

Compound Name5-fluorocyclobuta[b]quinoxaline-1,2-diol
PubChem CID135502848
Molecular FormulaC10H5FN2O2
Molecular Weight204.16 g/mol
Exact Mass204.03
IUPAC Name5-fluorocyclobuta[b]quinoxaline-1,2-diol
SMILESOC1=C(O)c2nc3cc(F)ccc3nc21
InChIInChI=1S/C10H5FN2O2/c11-4-1-2-5-6(3-4)13-8-7(12-5)9(14)10(8)15/h1-3,14-15H
InChIKeyPTBHOKXSPZHBPB-UHFFFAOYSA-N
XLogP2.02
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.16
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluorocyclobuta[b]quinoxaline-1,2-diol?
The IUPAC name of 5-fluorocyclobuta[b]quinoxaline-1,2-diol (CID 135502848) is 5-fluorocyclobuta[b]quinoxaline-1,2-diol.
What is the SMILES notation for 5-fluorocyclobuta[b]quinoxaline-1,2-diol?
The canonical SMILES for 5-fluorocyclobuta[b]quinoxaline-1,2-diol is OC1=C(O)c2nc3cc(F)ccc3nc21.
What is the InChIKey of 5-fluorocyclobuta[b]quinoxaline-1,2-diol?
The InChIKey is PTBHOKXSPZHBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5FN2O2/c11-4-1-2-5-6(3-4)13-8-7(12-5)9(14)10(8)15/h1-3,14-15H.
What are the key properties of 5-fluorocyclobuta[b]quinoxaline-1,2-diol?
5-fluorocyclobuta[b]quinoxaline-1,2-diol has a molecular weight of 204.16 g/mol, XLogP of 2.02, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluorocyclobuta[b]quinoxaline-1,2-diol is sourced from PubChem (CID 135502848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).