4-octoxy-3-(trifluoromethyl)benzohydrazide

C16H23F3N2O2 — CID 53349360

IUPAC4-octoxy-3-(trifluoromethyl)benzohydrazide
SMILESCCCCCCCCOc1ccc(C(=O)NN)cc1C(F)(F)F
InChIInChI=1S/C16H23F3N2O2/c1-2-3-4-5-6-7-10-23-14-9-8-12(15(22)21-20)11-13(14)16(17,18)19/h8-9,11H,2-7,10,20H2,1H3,(H,21,22)
InChIKeyXPTICHZNRLMSEX-UHFFFAOYSA-N
MW332.37 g/mol
LogP4.05
Rot. Bonds9

About 4-octoxy-3-(trifluoromethyl)benzohydrazide

4-octoxy-3-(trifluoromethyl)benzohydrazide (PubChem CID 53349360) has the molecular formula C16H23F3N2O2 and a molecular weight of 332.37 g/mol. Its IUPAC name is 4-octoxy-3-(trifluoromethyl)benzohydrazide.

Molecular Properties

Compound Name4-octoxy-3-(trifluoromethyl)benzohydrazide
PubChem CID53349360
Molecular FormulaC16H23F3N2O2
Molecular Weight332.37 g/mol
Exact Mass332.17
IUPAC Name4-octoxy-3-(trifluoromethyl)benzohydrazide
SMILESCCCCCCCCOc1ccc(C(=O)NN)cc1C(F)(F)F
InChIInChI=1S/C16H23F3N2O2/c1-2-3-4-5-6-7-10-23-14-9-8-12(15(22)21-20)11-13(14)16(17,18)19/h8-9,11H,2-7,10,20H2,1H3,(H,21,22)
InChIKeyXPTICHZNRLMSEX-UHFFFAOYSA-N
XLogP4.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 4-octoxy-3-(trifluoromethyl)benzohydrazide?
The IUPAC name of 4-octoxy-3-(trifluoromethyl)benzohydrazide (CID 53349360) is 4-octoxy-3-(trifluoromethyl)benzohydrazide.
What is the SMILES notation for 4-octoxy-3-(trifluoromethyl)benzohydrazide?
The canonical SMILES for 4-octoxy-3-(trifluoromethyl)benzohydrazide is CCCCCCCCOc1ccc(C(=O)NN)cc1C(F)(F)F.
What is the InChIKey of 4-octoxy-3-(trifluoromethyl)benzohydrazide?
The InChIKey is XPTICHZNRLMSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O2/c1-2-3-4-5-6-7-10-23-14-9-8-12(15(22)21-20)11-13(14)16(17,18)19/h8-9,11H,2-7,10,20H2,1H3,(H,21,22).
What are the key properties of 4-octoxy-3-(trifluoromethyl)benzohydrazide?
4-octoxy-3-(trifluoromethyl)benzohydrazide has a molecular weight of 332.37 g/mol, XLogP of 4.05, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-octoxy-3-(trifluoromethyl)benzohydrazide is sourced from PubChem (CID 53349360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).