8-(trifluoromethyl)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine

C9H9F3N2O — CID 138110826

IUPAC8-(trifluoromethyl)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine
SMILESFC(F)(F)c1ccc2c(n1)OCCNC2
InChIInChI=1S/C9H9F3N2O/c10-9(11,12)7-2-1-6-5-13-3-4-15-8(6)14-7/h1-2,13H,3-5H2
InChIKeyMKCSQGPDQONFQX-UHFFFAOYSA-N
MW218.18 g/mol
LogP1.58
Rot. Bonds

About 8-(trifluoromethyl)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine

8-(trifluoromethyl)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine (PubChem CID 138110826) has the molecular formula C9H9F3N2O and a molecular weight of 218.18 g/mol. Its IUPAC name is 8-(trifluoromethyl)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine.

Molecular Properties

Compound Name8-(trifluoromethyl)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine
PubChem CID138110826
Molecular FormulaC9H9F3N2O
Molecular Weight218.18 g/mol
Exact Mass218.07
IUPAC Name8-(trifluoromethyl)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine
SMILESFC(F)(F)c1ccc2c(n1)OCCNC2
InChIInChI=1S/C9H9F3N2O/c10-9(11,12)7-2-1-6-5-13-3-4-15-8(6)14-7/h1-2,13H,3-5H2
InChIKeyMKCSQGPDQONFQX-UHFFFAOYSA-N
XLogP1.58
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(trifluoromethyl)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine?
The IUPAC name of 8-(trifluoromethyl)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine (CID 138110826) is 8-(trifluoromethyl)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine.
What is the SMILES notation for 8-(trifluoromethyl)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine?
The canonical SMILES for 8-(trifluoromethyl)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine is FC(F)(F)c1ccc2c(n1)OCCNC2.
What is the InChIKey of 8-(trifluoromethyl)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine?
The InChIKey is MKCSQGPDQONFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O/c10-9(11,12)7-2-1-6-5-13-3-4-15-8(6)14-7/h1-2,13H,3-5H2.
What are the key properties of 8-(trifluoromethyl)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine?
8-(trifluoromethyl)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine has a molecular weight of 218.18 g/mol, XLogP of 1.58, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(trifluoromethyl)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine is sourced from PubChem (CID 138110826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).