6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrazino[2,3-b][1,4]oxazine

C13H10F3N3O — CID 67170458

IUPAC6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrazino[2,3-b][1,4]oxazine
SMILESFC(F)(F)c1cccc(-c2cnc3c(n2)NCCO3)c1
InChIInChI=1S/C13H10F3N3O/c14-13(15,16)9-3-1-2-8(6-9)10-7-18-12-11(19-10)17-4-5-20-12/h1-3,6-7H,4-5H2,(H,17,19)
InChIKeyCMSQEQRBPLYZEF-UHFFFAOYSA-N
MW281.24 g/mol
LogP2.97
Rot. Bonds1

About 6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrazino[2,3-b][1,4]oxazine

6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrazino[2,3-b][1,4]oxazine (PubChem CID 67170458) has the molecular formula C13H10F3N3O and a molecular weight of 281.24 g/mol. Its IUPAC name is 6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrazino[2,3-b][1,4]oxazine.

Molecular Properties

Compound Name6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrazino[2,3-b][1,4]oxazine
PubChem CID67170458
Molecular FormulaC13H10F3N3O
Molecular Weight281.24 g/mol
Exact Mass281.08
IUPAC Name6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrazino[2,3-b][1,4]oxazine
SMILESFC(F)(F)c1cccc(-c2cnc3c(n2)NCCO3)c1
InChIInChI=1S/C13H10F3N3O/c14-13(15,16)9-3-1-2-8(6-9)10-7-18-12-11(19-10)17-4-5-20-12/h1-3,6-7H,4-5H2,(H,17,19)
InChIKeyCMSQEQRBPLYZEF-UHFFFAOYSA-N
XLogP2.97
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrazino[2,3-b][1,4]oxazine?
The IUPAC name of 6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrazino[2,3-b][1,4]oxazine (CID 67170458) is 6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrazino[2,3-b][1,4]oxazine.
What is the SMILES notation for 6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrazino[2,3-b][1,4]oxazine?
The canonical SMILES for 6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrazino[2,3-b][1,4]oxazine is FC(F)(F)c1cccc(-c2cnc3c(n2)NCCO3)c1.
What is the InChIKey of 6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrazino[2,3-b][1,4]oxazine?
The InChIKey is CMSQEQRBPLYZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O/c14-13(15,16)9-3-1-2-8(6-9)10-7-18-12-11(19-10)17-4-5-20-12/h1-3,6-7H,4-5H2,(H,17,19).
What are the key properties of 6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrazino[2,3-b][1,4]oxazine?
6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrazino[2,3-b][1,4]oxazine has a molecular weight of 281.24 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrazino[2,3-b][1,4]oxazine is sourced from PubChem (CID 67170458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).