2-(trifluoromethyl)-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one

C9H9F3N2O2 — CID 155065049

IUPAC2-(trifluoromethyl)-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one
SMILESO=c1ccc2c([nH]1)CNCC(C(F)(F)F)O2
InChIInChI=1S/C9H9F3N2O2/c10-9(11,12)7-4-13-3-5-6(16-7)1-2-8(15)14-5/h1-2,7,13H,3-4H2,(H,14,15)
InChIKeyUPCJLWCKSOCJLW-UHFFFAOYSA-N
MW234.18 g/mol
LogP0.79
Rot. Bonds

About 2-(trifluoromethyl)-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one

2-(trifluoromethyl)-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one (PubChem CID 155065049) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is 2-(trifluoromethyl)-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one.

Molecular Properties

Compound Name2-(trifluoromethyl)-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one
PubChem CID155065049
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC Name2-(trifluoromethyl)-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one
SMILESO=c1ccc2c([nH]1)CNCC(C(F)(F)F)O2
InChIInChI=1S/C9H9F3N2O2/c10-9(11,12)7-4-13-3-5-6(16-7)1-2-8(15)14-5/h1-2,7,13H,3-4H2,(H,14,15)
InChIKeyUPCJLWCKSOCJLW-UHFFFAOYSA-N
XLogP0.79
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one?
The IUPAC name of 2-(trifluoromethyl)-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one (CID 155065049) is 2-(trifluoromethyl)-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one.
What is the SMILES notation for 2-(trifluoromethyl)-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one?
The canonical SMILES for 2-(trifluoromethyl)-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one is O=c1ccc2c([nH]1)CNCC(C(F)(F)F)O2.
What is the InChIKey of 2-(trifluoromethyl)-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one?
The InChIKey is UPCJLWCKSOCJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2/c10-9(11,12)7-4-13-3-5-6(16-7)1-2-8(15)14-5/h1-2,7,13H,3-4H2,(H,14,15).
What are the key properties of 2-(trifluoromethyl)-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one?
2-(trifluoromethyl)-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one has a molecular weight of 234.18 g/mol, XLogP of 0.79, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one is sourced from PubChem (CID 155065049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).