3-(trifluoromethyl)-1,2,3,7-tetrahydropyrido[3,2-f][1,4]benzoxazin-8-one

C12H9F3N2O2 — CID 141080272

IUPAC3-(trifluoromethyl)-1,2,3,7-tetrahydropyrido[3,2-f][1,4]benzoxazin-8-one
SMILESO=c1ccc2c3c(ccc2[nH]1)OC(C(F)(F)F)CN3
InChIInChI=1S/C12H9F3N2O2/c13-12(14,15)9-5-16-11-6-1-4-10(18)17-7(6)2-3-8(11)19-9/h1-4,9,16H,5H2,(H,17,18)
InChIKeyWAJMSUAIMWFDHU-UHFFFAOYSA-N
MW270.21 g/mol
LogP2.26
Rot. Bonds

About 3-(trifluoromethyl)-1,2,3,7-tetrahydropyrido[3,2-f][1,4]benzoxazin-8-one

3-(trifluoromethyl)-1,2,3,7-tetrahydropyrido[3,2-f][1,4]benzoxazin-8-one (PubChem CID 141080272) has the molecular formula C12H9F3N2O2 and a molecular weight of 270.21 g/mol. Its IUPAC name is 3-(trifluoromethyl)-1,2,3,7-tetrahydropyrido[3,2-f][1,4]benzoxazin-8-one.

Molecular Properties

Compound Name3-(trifluoromethyl)-1,2,3,7-tetrahydropyrido[3,2-f][1,4]benzoxazin-8-one
PubChem CID141080272
Molecular FormulaC12H9F3N2O2
Molecular Weight270.21 g/mol
Exact Mass270.06
IUPAC Name3-(trifluoromethyl)-1,2,3,7-tetrahydropyrido[3,2-f][1,4]benzoxazin-8-one
SMILESO=c1ccc2c3c(ccc2[nH]1)OC(C(F)(F)F)CN3
InChIInChI=1S/C12H9F3N2O2/c13-12(14,15)9-5-16-11-6-1-4-10(18)17-7(6)2-3-8(11)19-9/h1-4,9,16H,5H2,(H,17,18)
InChIKeyWAJMSUAIMWFDHU-UHFFFAOYSA-N
XLogP2.26
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-1,2,3,7-tetrahydropyrido[3,2-f][1,4]benzoxazin-8-one?
The IUPAC name of 3-(trifluoromethyl)-1,2,3,7-tetrahydropyrido[3,2-f][1,4]benzoxazin-8-one (CID 141080272) is 3-(trifluoromethyl)-1,2,3,7-tetrahydropyrido[3,2-f][1,4]benzoxazin-8-one.
What is the SMILES notation for 3-(trifluoromethyl)-1,2,3,7-tetrahydropyrido[3,2-f][1,4]benzoxazin-8-one?
The canonical SMILES for 3-(trifluoromethyl)-1,2,3,7-tetrahydropyrido[3,2-f][1,4]benzoxazin-8-one is O=c1ccc2c3c(ccc2[nH]1)OC(C(F)(F)F)CN3.
What is the InChIKey of 3-(trifluoromethyl)-1,2,3,7-tetrahydropyrido[3,2-f][1,4]benzoxazin-8-one?
The InChIKey is WAJMSUAIMWFDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O2/c13-12(14,15)9-5-16-11-6-1-4-10(18)17-7(6)2-3-8(11)19-9/h1-4,9,16H,5H2,(H,17,18).
What are the key properties of 3-(trifluoromethyl)-1,2,3,7-tetrahydropyrido[3,2-f][1,4]benzoxazin-8-one?
3-(trifluoromethyl)-1,2,3,7-tetrahydropyrido[3,2-f][1,4]benzoxazin-8-one has a molecular weight of 270.21 g/mol, XLogP of 2.26, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-1,2,3,7-tetrahydropyrido[3,2-f][1,4]benzoxazin-8-one is sourced from PubChem (CID 141080272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).