7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine

C14H11F3N2O — CID 66936855

IUPAC7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
SMILESFC(F)(F)c1cccc(-c2cnc3c(c2)NCCO3)c1
InChIInChI=1S/C14H11F3N2O/c15-14(16,17)11-3-1-2-9(6-11)10-7-12-13(19-8-10)20-5-4-18-12/h1-3,6-8,18H,4-5H2
InChIKeyVJNPROOULJLIKA-UHFFFAOYSA-N
MW280.25 g/mol
LogP3.57
Rot. Bonds1

About 7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine

7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine (PubChem CID 66936855) has the molecular formula C14H11F3N2O and a molecular weight of 280.25 g/mol. Its IUPAC name is 7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine.

Molecular Properties

Compound Name7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
PubChem CID66936855
Molecular FormulaC14H11F3N2O
Molecular Weight280.25 g/mol
Exact Mass280.08
IUPAC Name7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
SMILESFC(F)(F)c1cccc(-c2cnc3c(c2)NCCO3)c1
InChIInChI=1S/C14H11F3N2O/c15-14(16,17)11-3-1-2-9(6-11)10-7-12-13(19-8-10)20-5-4-18-12/h1-3,6-8,18H,4-5H2
InChIKeyVJNPROOULJLIKA-UHFFFAOYSA-N
XLogP3.57
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine?
The IUPAC name of 7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine (CID 66936855) is 7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine.
What is the SMILES notation for 7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine?
The canonical SMILES for 7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine is FC(F)(F)c1cccc(-c2cnc3c(c2)NCCO3)c1.
What is the InChIKey of 7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine?
The InChIKey is VJNPROOULJLIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O/c15-14(16,17)11-3-1-2-9(6-11)10-7-12-13(19-8-10)20-5-4-18-12/h1-3,6-8,18H,4-5H2.
What are the key properties of 7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine?
7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine has a molecular weight of 280.25 g/mol, XLogP of 3.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine is sourced from PubChem (CID 66936855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).