7-fluoro-1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine

C11H13FN2O — CID 84621059

IUPAC7-fluoro-1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine
SMILESFc1cccc2c1OCC1CNCCN21
InChIInChI=1S/C11H13FN2O/c12-9-2-1-3-10-11(9)15-7-8-6-13-4-5-14(8)10/h1-3,8,13H,4-7H2
InChIKeyBPXZZTPRFGBOSV-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.00
Rot. Bonds

About 7-fluoro-1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine

7-fluoro-1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine (PubChem CID 84621059) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is 7-fluoro-1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine.

Molecular Properties

Compound Name7-fluoro-1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine
PubChem CID84621059
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name7-fluoro-1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine
SMILESFc1cccc2c1OCC1CNCCN21
InChIInChI=1S/C11H13FN2O/c12-9-2-1-3-10-11(9)15-7-8-6-13-4-5-14(8)10/h1-3,8,13H,4-7H2
InChIKeyBPXZZTPRFGBOSV-UHFFFAOYSA-N
XLogP1.00
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine?
The IUPAC name of 7-fluoro-1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine (CID 84621059) is 7-fluoro-1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine.
What is the SMILES notation for 7-fluoro-1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine?
The canonical SMILES for 7-fluoro-1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine is Fc1cccc2c1OCC1CNCCN21.
What is the InChIKey of 7-fluoro-1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine?
The InChIKey is BPXZZTPRFGBOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c12-9-2-1-3-10-11(9)15-7-8-6-13-4-5-14(8)10/h1-3,8,13H,4-7H2.
What are the key properties of 7-fluoro-1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine?
7-fluoro-1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine has a molecular weight of 208.24 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine is sourced from PubChem (CID 84621059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).