8-methoxy-2-(trifluoromethyl)-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine

C9H9F3N2O2 — CID 169122155

IUPAC8-methoxy-2-(trifluoromethyl)-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine
SMILESCOc1cncc2c1OC(C(F)(F)F)CN2
InChIInChI=1S/C9H9F3N2O2/c1-15-6-3-13-2-5-8(6)16-7(4-14-5)9(10,11)12/h2-3,7,14H,4H2,1H3
InChIKeyFTGOVQUCNCENPG-UHFFFAOYSA-N
MW234.18 g/mol
LogP1.83
Rot. Bonds1

About 8-methoxy-2-(trifluoromethyl)-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine

8-methoxy-2-(trifluoromethyl)-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine (PubChem CID 169122155) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is 8-methoxy-2-(trifluoromethyl)-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine.

Molecular Properties

Compound Name8-methoxy-2-(trifluoromethyl)-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine
PubChem CID169122155
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC Name8-methoxy-2-(trifluoromethyl)-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine
SMILESCOc1cncc2c1OC(C(F)(F)F)CN2
InChIInChI=1S/C9H9F3N2O2/c1-15-6-3-13-2-5-8(6)16-7(4-14-5)9(10,11)12/h2-3,7,14H,4H2,1H3
InChIKeyFTGOVQUCNCENPG-UHFFFAOYSA-N
XLogP1.83
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-(trifluoromethyl)-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine?
The IUPAC name of 8-methoxy-2-(trifluoromethyl)-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine (CID 169122155) is 8-methoxy-2-(trifluoromethyl)-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine.
What is the SMILES notation for 8-methoxy-2-(trifluoromethyl)-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine?
The canonical SMILES for 8-methoxy-2-(trifluoromethyl)-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine is COc1cncc2c1OC(C(F)(F)F)CN2.
What is the InChIKey of 8-methoxy-2-(trifluoromethyl)-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine?
The InChIKey is FTGOVQUCNCENPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2/c1-15-6-3-13-2-5-8(6)16-7(4-14-5)9(10,11)12/h2-3,7,14H,4H2,1H3.
What are the key properties of 8-methoxy-2-(trifluoromethyl)-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine?
8-methoxy-2-(trifluoromethyl)-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine has a molecular weight of 234.18 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-(trifluoromethyl)-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine is sourced from PubChem (CID 169122155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).