5-(trifluoromethyl)cyclobuta[b]quinoxaline-1,2-diol

C11H5F3N2O2 — CID 135441833

IUPAC5-(trifluoromethyl)cyclobuta[b]quinoxaline-1,2-diol
SMILESOC1=C(O)c2nc3cc(C(F)(F)F)ccc3nc21
InChIInChI=1S/C11H5F3N2O2/c12-11(13,14)4-1-2-5-6(3-4)16-8-7(15-5)9(17)10(8)18/h1-3,17-18H
InChIKeySFFXAQKCXWVXLW-UHFFFAOYSA-N
MW254.17 g/mol
LogP2.90
Rot. Bonds

About 5-(trifluoromethyl)cyclobuta[b]quinoxaline-1,2-diol

5-(trifluoromethyl)cyclobuta[b]quinoxaline-1,2-diol (PubChem CID 135441833) has the molecular formula C11H5F3N2O2 and a molecular weight of 254.17 g/mol. Its IUPAC name is 5-(trifluoromethyl)cyclobuta[b]quinoxaline-1,2-diol.

Molecular Properties

Compound Name5-(trifluoromethyl)cyclobuta[b]quinoxaline-1,2-diol
PubChem CID135441833
Molecular FormulaC11H5F3N2O2
Molecular Weight254.17 g/mol
Exact Mass254.03
IUPAC Name5-(trifluoromethyl)cyclobuta[b]quinoxaline-1,2-diol
SMILESOC1=C(O)c2nc3cc(C(F)(F)F)ccc3nc21
InChIInChI=1S/C11H5F3N2O2/c12-11(13,14)4-1-2-5-6(3-4)16-8-7(15-5)9(17)10(8)18/h1-3,17-18H
InChIKeySFFXAQKCXWVXLW-UHFFFAOYSA-N
XLogP2.90
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)cyclobuta[b]quinoxaline-1,2-diol?
The IUPAC name of 5-(trifluoromethyl)cyclobuta[b]quinoxaline-1,2-diol (CID 135441833) is 5-(trifluoromethyl)cyclobuta[b]quinoxaline-1,2-diol.
What is the SMILES notation for 5-(trifluoromethyl)cyclobuta[b]quinoxaline-1,2-diol?
The canonical SMILES for 5-(trifluoromethyl)cyclobuta[b]quinoxaline-1,2-diol is OC1=C(O)c2nc3cc(C(F)(F)F)ccc3nc21.
What is the InChIKey of 5-(trifluoromethyl)cyclobuta[b]quinoxaline-1,2-diol?
The InChIKey is SFFXAQKCXWVXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F3N2O2/c12-11(13,14)4-1-2-5-6(3-4)16-8-7(15-5)9(17)10(8)18/h1-3,17-18H.
What are the key properties of 5-(trifluoromethyl)cyclobuta[b]quinoxaline-1,2-diol?
5-(trifluoromethyl)cyclobuta[b]quinoxaline-1,2-diol has a molecular weight of 254.17 g/mol, XLogP of 2.90, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)cyclobuta[b]quinoxaline-1,2-diol is sourced from PubChem (CID 135441833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).