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

C11H6F3N3O2 — CID 147426679

IUPAC7-amino-5-(trifluoromethyl)cyclobuta[b]quinoxaline-1,2-diol
SMILESNc1cc(C(F)(F)F)cc2nc3c(nc12)C(O)=C3O
InChIInChI=1S/C11H6F3N3O2/c12-11(13,14)3-1-4(15)6-5(2-3)16-7-8(17-6)10(19)9(7)18/h1-2,18-19H,15H2
InChIKeyWLKAZWXSTDTKSX-UHFFFAOYSA-N
MW269.18 g/mol
LogP2.49
Rot. Bonds

About 7-amino-5-(trifluoromethyl)cyclobuta[b]quinoxaline-1,2-diol

7-amino-5-(trifluoromethyl)cyclobuta[b]quinoxaline-1,2-diol (PubChem CID 147426679) has the molecular formula C11H6F3N3O2 and a molecular weight of 269.18 g/mol. Its IUPAC name is 7-amino-5-(trifluoromethyl)cyclobuta[b]quinoxaline-1,2-diol.

Molecular Properties

Compound Name7-amino-5-(trifluoromethyl)cyclobuta[b]quinoxaline-1,2-diol
PubChem CID147426679
Molecular FormulaC11H6F3N3O2
Molecular Weight269.18 g/mol
Exact Mass269.04
IUPAC Name7-amino-5-(trifluoromethyl)cyclobuta[b]quinoxaline-1,2-diol
SMILESNc1cc(C(F)(F)F)cc2nc3c(nc12)C(O)=C3O
InChIInChI=1S/C11H6F3N3O2/c12-11(13,14)3-1-4(15)6-5(2-3)16-7-8(17-6)10(19)9(7)18/h1-2,18-19H,15H2
InChIKeyWLKAZWXSTDTKSX-UHFFFAOYSA-N
XLogP2.49
TPSA92.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-amino-5-(trifluoromethyl)cyclobuta[b]quinoxaline-1,2-diol?
The IUPAC name of 7-amino-5-(trifluoromethyl)cyclobuta[b]quinoxaline-1,2-diol (CID 147426679) is 7-amino-5-(trifluoromethyl)cyclobuta[b]quinoxaline-1,2-diol.
What is the SMILES notation for 7-amino-5-(trifluoromethyl)cyclobuta[b]quinoxaline-1,2-diol?
The canonical SMILES for 7-amino-5-(trifluoromethyl)cyclobuta[b]quinoxaline-1,2-diol is Nc1cc(C(F)(F)F)cc2nc3c(nc12)C(O)=C3O.
What is the InChIKey of 7-amino-5-(trifluoromethyl)cyclobuta[b]quinoxaline-1,2-diol?
The InChIKey is WLKAZWXSTDTKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3N3O2/c12-11(13,14)3-1-4(15)6-5(2-3)16-7-8(17-6)10(19)9(7)18/h1-2,18-19H,15H2.
What are the key properties of 7-amino-5-(trifluoromethyl)cyclobuta[b]quinoxaline-1,2-diol?
7-amino-5-(trifluoromethyl)cyclobuta[b]quinoxaline-1,2-diol has a molecular weight of 269.18 g/mol, XLogP of 2.49, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5-(trifluoromethyl)cyclobuta[b]quinoxaline-1,2-diol is sourced from PubChem (CID 147426679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).