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

C15H13F3N2O2 — CID 24857947

IUPAC8-[4-(trifluoromethoxy)phenyl]-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine
SMILESFC(F)(F)Oc1ccc(-c2ccc3c(n2)OCCNC3)cc1
InChIInChI=1S/C15H13F3N2O2/c16-15(17,18)22-12-4-1-10(2-5-12)13-6-3-11-9-19-7-8-21-14(11)20-13/h1-6,19H,7-9H2
InChIKeyWILNOAGXIQZPDT-UHFFFAOYSA-N
MW310.28 g/mol
LogP3.13
Rot. Bonds2

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

8-[4-(trifluoromethoxy)phenyl]-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine (PubChem CID 24857947) has the molecular formula C15H13F3N2O2 and a molecular weight of 310.28 g/mol. Its IUPAC name is 8-[4-(trifluoromethoxy)phenyl]-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine.

Molecular Properties

Compound Name8-[4-(trifluoromethoxy)phenyl]-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine
PubChem CID24857947
Molecular FormulaC15H13F3N2O2
Molecular Weight310.28 g/mol
Exact Mass310.09
IUPAC Name8-[4-(trifluoromethoxy)phenyl]-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine
SMILESFC(F)(F)Oc1ccc(-c2ccc3c(n2)OCCNC3)cc1
InChIInChI=1S/C15H13F3N2O2/c16-15(17,18)22-12-4-1-10(2-5-12)13-6-3-11-9-19-7-8-21-14(11)20-13/h1-6,19H,7-9H2
InChIKeyWILNOAGXIQZPDT-UHFFFAOYSA-N
XLogP3.13
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(trifluoromethoxy)phenyl]-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine?
The IUPAC name of 8-[4-(trifluoromethoxy)phenyl]-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine (CID 24857947) is 8-[4-(trifluoromethoxy)phenyl]-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine.
What is the SMILES notation for 8-[4-(trifluoromethoxy)phenyl]-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine?
The canonical SMILES for 8-[4-(trifluoromethoxy)phenyl]-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine is FC(F)(F)Oc1ccc(-c2ccc3c(n2)OCCNC3)cc1.
What is the InChIKey of 8-[4-(trifluoromethoxy)phenyl]-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine?
The InChIKey is WILNOAGXIQZPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O2/c16-15(17,18)22-12-4-1-10(2-5-12)13-6-3-11-9-19-7-8-21-14(11)20-13/h1-6,19H,7-9H2.
What are the key properties of 8-[4-(trifluoromethoxy)phenyl]-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine?
8-[4-(trifluoromethoxy)phenyl]-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine has a molecular weight of 310.28 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(trifluoromethoxy)phenyl]-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine is sourced from PubChem (CID 24857947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).