1-[(4aR,9aS)-2,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazin-3-yl]-2-(2,3,4,5,6-pentafluorophenyl)hydrazine

C17H12F5N3O — CID 11465261

IUPAC1-[(4aR,9aS)-2,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazin-3-yl]-2-(2,3,4,5,6-pentafluorophenyl)hydrazine
SMILESFc1c(F)c(F)c(NNC2=N[C@@H]3c4ccccc4C[C@@H]3OC2)c(F)c1F
InChIInChI=1S/C17H12F5N3O/c18-11-12(19)14(21)17(15(22)13(11)20)25-24-10-6-26-9-5-7-3-1-2-4-8(7)16(9)23-10/h1-4,9,16,25H,5-6H2,(H,23,24)/t9-,16+/m0/s1
InChIKeyJPZHHTKXNLTEAO-XXFAHNHDSA-N
MW369.29 g/mol
LogP3.39
Rot. Bonds2

About 1-[(4aR,9aS)-2,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazin-3-yl]-2-(2,3,4,5,6-pentafluorophenyl)hydrazine

1-[(4aR,9aS)-2,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazin-3-yl]-2-(2,3,4,5,6-pentafluorophenyl)hydrazine (PubChem CID 11465261) has the molecular formula C17H12F5N3O and a molecular weight of 369.29 g/mol. Its IUPAC name is 1-[(4aR,9aS)-2,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazin-3-yl]-2-(2,3,4,5,6-pentafluorophenyl)hydrazine.

Molecular Properties

Compound Name1-[(4aR,9aS)-2,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazin-3-yl]-2-(2,3,4,5,6-pentafluorophenyl)hydrazine
PubChem CID11465261
Molecular FormulaC17H12F5N3O
Molecular Weight369.29 g/mol
Exact Mass369.09
IUPAC Name1-[(4aR,9aS)-2,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazin-3-yl]-2-(2,3,4,5,6-pentafluorophenyl)hydrazine
SMILESFc1c(F)c(F)c(NNC2=N[C@@H]3c4ccccc4C[C@@H]3OC2)c(F)c1F
InChIInChI=1S/C17H12F5N3O/c18-11-12(19)14(21)17(15(22)13(11)20)25-24-10-6-26-9-5-7-3-1-2-4-8(7)16(9)23-10/h1-4,9,16,25H,5-6H2,(H,23,24)/t9-,16+/m0/s1
InChIKeyJPZHHTKXNLTEAO-XXFAHNHDSA-N
XLogP3.39
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.29
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4aR,9aS)-2,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazin-3-yl]-2-(2,3,4,5,6-pentafluorophenyl)hydrazine?
The IUPAC name of 1-[(4aR,9aS)-2,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazin-3-yl]-2-(2,3,4,5,6-pentafluorophenyl)hydrazine (CID 11465261) is 1-[(4aR,9aS)-2,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazin-3-yl]-2-(2,3,4,5,6-pentafluorophenyl)hydrazine.
What is the SMILES notation for 1-[(4aR,9aS)-2,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazin-3-yl]-2-(2,3,4,5,6-pentafluorophenyl)hydrazine?
The canonical SMILES for 1-[(4aR,9aS)-2,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazin-3-yl]-2-(2,3,4,5,6-pentafluorophenyl)hydrazine is Fc1c(F)c(F)c(NNC2=N[C@@H]3c4ccccc4C[C@@H]3OC2)c(F)c1F.
What is the InChIKey of 1-[(4aR,9aS)-2,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazin-3-yl]-2-(2,3,4,5,6-pentafluorophenyl)hydrazine?
The InChIKey is JPZHHTKXNLTEAO-XXFAHNHDSA-N. The full InChI is InChI=1S/C17H12F5N3O/c18-11-12(19)14(21)17(15(22)13(11)20)25-24-10-6-26-9-5-7-3-1-2-4-8(7)16(9)23-10/h1-4,9,16,25H,5-6H2,(H,23,24)/t9-,16+/m0/s1.
What are the key properties of 1-[(4aR,9aS)-2,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazin-3-yl]-2-(2,3,4,5,6-pentafluorophenyl)hydrazine?
1-[(4aR,9aS)-2,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazin-3-yl]-2-(2,3,4,5,6-pentafluorophenyl)hydrazine has a molecular weight of 369.29 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4aR,9aS)-2,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazin-3-yl]-2-(2,3,4,5,6-pentafluorophenyl)hydrazine is sourced from PubChem (CID 11465261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).