6-(oxan-2-yloxy)-2-(2,3,4-trifluorophenyl)hexanehydrazide

C17H23F3N2O3 — CID 142606883

IUPAC6-(oxan-2-yloxy)-2-(2,3,4-trifluorophenyl)hexanehydrazide
SMILESNNC(=O)C(CCCCOC1CCCCO1)c1ccc(F)c(F)c1F
InChIInChI=1S/C17H23F3N2O3/c18-13-8-7-11(15(19)16(13)20)12(17(23)22-21)5-1-3-9-24-14-6-2-4-10-25-14/h7-8,12,14H,1-6,9-10,21H2,(H,22,23)
InChIKeyNPMFDSXQICZOLX-UHFFFAOYSA-N
MW360.38 g/mol
LogP2.89
Rot. Bonds8

About 6-(oxan-2-yloxy)-2-(2,3,4-trifluorophenyl)hexanehydrazide

6-(oxan-2-yloxy)-2-(2,3,4-trifluorophenyl)hexanehydrazide (PubChem CID 142606883) has the molecular formula C17H23F3N2O3 and a molecular weight of 360.38 g/mol. Its IUPAC name is 6-(oxan-2-yloxy)-2-(2,3,4-trifluorophenyl)hexanehydrazide.

Molecular Properties

Compound Name6-(oxan-2-yloxy)-2-(2,3,4-trifluorophenyl)hexanehydrazide
PubChem CID142606883
Molecular FormulaC17H23F3N2O3
Molecular Weight360.38 g/mol
Exact Mass360.17
IUPAC Name6-(oxan-2-yloxy)-2-(2,3,4-trifluorophenyl)hexanehydrazide
SMILESNNC(=O)C(CCCCOC1CCCCO1)c1ccc(F)c(F)c1F
InChIInChI=1S/C17H23F3N2O3/c18-13-8-7-11(15(19)16(13)20)12(17(23)22-21)5-1-3-9-24-14-6-2-4-10-25-14/h7-8,12,14H,1-6,9-10,21H2,(H,22,23)
InChIKeyNPMFDSXQICZOLX-UHFFFAOYSA-N
XLogP2.89
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(oxan-2-yloxy)-2-(2,3,4-trifluorophenyl)hexanehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3,5-bis(trifluoromethyl)phenyl]-5-(oxan-2-yloxy)pentanehydrazide
CID 126674175
8-(oxan-2-yloxy)octyl benzoate
CID 11551737
6-(oxan-2-yloxy)hexyl 4-hydroxybenzoate
CID 19959611
2-[4-(oxan-2-yloxy)butyl]propanediamide
CID 67822555
N,N'-bis(2-aminoethyl)-2-[6-(oxan-2-yloxy)hexyl]propanediamide
CID 59422079
2-amino-6-(oxan-2-yloxy)hexanoic acid
CID 146471509
[1-(4-fluorophenoxy)-5-(oxan-2-yloxy)pentan-2-yl] acetate
CID 22759299
6-amino-2-[3-(oxan-2-yloxy)propyl]hexan-1-ol
CID 14986683
[5-bromo-2-[2-(oxan-2-yloxy)ethyl]-1,2,4-triazol-3-yl]-(2,3,4-trifluorophenyl)methanol
CID 156579553
methyl 4-[12-(oxan-2-yloxy)dodecoxy]benzoate
CID 67066837
benzyl (2S)-2-amino-4-(oxan-2-yloxy)butanoate
CID 70956918
2-(6-methylheptoxy)oxane
CID 139685112

Frequently Asked Questions

What is the IUPAC name of 6-(oxan-2-yloxy)-2-(2,3,4-trifluorophenyl)hexanehydrazide?
The IUPAC name of 6-(oxan-2-yloxy)-2-(2,3,4-trifluorophenyl)hexanehydrazide (CID 142606883) is 6-(oxan-2-yloxy)-2-(2,3,4-trifluorophenyl)hexanehydrazide.
What is the SMILES notation for 6-(oxan-2-yloxy)-2-(2,3,4-trifluorophenyl)hexanehydrazide?
The canonical SMILES for 6-(oxan-2-yloxy)-2-(2,3,4-trifluorophenyl)hexanehydrazide is NNC(=O)C(CCCCOC1CCCCO1)c1ccc(F)c(F)c1F.
What is the InChIKey of 6-(oxan-2-yloxy)-2-(2,3,4-trifluorophenyl)hexanehydrazide?
The InChIKey is NPMFDSXQICZOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O3/c18-13-8-7-11(15(19)16(13)20)12(17(23)22-21)5-1-3-9-24-14-6-2-4-10-25-14/h7-8,12,14H,1-6,9-10,21H2,(H,22,23).
What are the key properties of 6-(oxan-2-yloxy)-2-(2,3,4-trifluorophenyl)hexanehydrazide?
6-(oxan-2-yloxy)-2-(2,3,4-trifluorophenyl)hexanehydrazide has a molecular weight of 360.38 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxan-2-yloxy)-2-(2,3,4-trifluorophenyl)hexanehydrazide is sourced from PubChem (CID 142606883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).