1-(6,7-difluoroquinoxalin-2-yl)azetidin-3-ol

C11H9F2N3O — CID 84584086

IUPAC1-(6,7-difluoroquinoxalin-2-yl)azetidin-3-ol
SMILESOC1CN(c2cnc3cc(F)c(F)cc3n2)C1
InChIInChI=1S/C11H9F2N3O/c12-7-1-9-10(2-8(7)13)15-11(3-14-9)16-4-6(17)5-16/h1-3,6,17H,4-5H2
InChIKeyYZMPGDGOVJOOGN-UHFFFAOYSA-N
MW237.21 g/mol
LogP1.09
Rot. Bonds1

About 1-(6,7-difluoroquinoxalin-2-yl)azetidin-3-ol

1-(6,7-difluoroquinoxalin-2-yl)azetidin-3-ol (PubChem CID 84584086) has the molecular formula C11H9F2N3O and a molecular weight of 237.21 g/mol. Its IUPAC name is 1-(6,7-difluoroquinoxalin-2-yl)azetidin-3-ol.

Molecular Properties

Compound Name1-(6,7-difluoroquinoxalin-2-yl)azetidin-3-ol
PubChem CID84584086
Molecular FormulaC11H9F2N3O
Molecular Weight237.21 g/mol
Exact Mass237.07
IUPAC Name1-(6,7-difluoroquinoxalin-2-yl)azetidin-3-ol
SMILESOC1CN(c2cnc3cc(F)c(F)cc3n2)C1
InChIInChI=1S/C11H9F2N3O/c12-7-1-9-10(2-8(7)13)15-11(3-14-9)16-4-6(17)5-16/h1-3,6,17H,4-5H2
InChIKeyYZMPGDGOVJOOGN-UHFFFAOYSA-N
XLogP1.09
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-difluoroquinoxalin-2-yl)azetidin-3-ol?
The IUPAC name of 1-(6,7-difluoroquinoxalin-2-yl)azetidin-3-ol (CID 84584086) is 1-(6,7-difluoroquinoxalin-2-yl)azetidin-3-ol.
What is the SMILES notation for 1-(6,7-difluoroquinoxalin-2-yl)azetidin-3-ol?
The canonical SMILES for 1-(6,7-difluoroquinoxalin-2-yl)azetidin-3-ol is OC1CN(c2cnc3cc(F)c(F)cc3n2)C1.
What is the InChIKey of 1-(6,7-difluoroquinoxalin-2-yl)azetidin-3-ol?
The InChIKey is YZMPGDGOVJOOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3O/c12-7-1-9-10(2-8(7)13)15-11(3-14-9)16-4-6(17)5-16/h1-3,6,17H,4-5H2.
What are the key properties of 1-(6,7-difluoroquinoxalin-2-yl)azetidin-3-ol?
1-(6,7-difluoroquinoxalin-2-yl)azetidin-3-ol has a molecular weight of 237.21 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-difluoroquinoxalin-2-yl)azetidin-3-ol is sourced from PubChem (CID 84584086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).