3-chloro-N'-(2,2,2-trifluoroacetyl)benzohydrazide

C9H6ClF3N2O2 — CID 587166

IUPAC3-chloro-N'-(2,2,2-trifluoroacetyl)benzohydrazide
SMILESO=C(NNC(=O)C(F)(F)F)c1cccc(Cl)c1
InChIInChI=1S/C9H6ClF3N2O2/c10-6-3-1-2-5(4-6)7(16)14-15-8(17)9(11,12)13/h1-4H,(H,14,16)(H,15,17)
InChIKeyNYKFFIMRABIEIY-UHFFFAOYSA-N
MW266.61 g/mol
LogP1.66
Rot. Bonds1

About 3-chloro-N'-(2,2,2-trifluoroacetyl)benzohydrazide

3-chloro-N'-(2,2,2-trifluoroacetyl)benzohydrazide (PubChem CID 587166) has the molecular formula C9H6ClF3N2O2 and a molecular weight of 266.61 g/mol. Its IUPAC name is 3-chloro-N'-(2,2,2-trifluoroacetyl)benzohydrazide.

Molecular Properties

Compound Name3-chloro-N'-(2,2,2-trifluoroacetyl)benzohydrazide
PubChem CID587166
Molecular FormulaC9H6ClF3N2O2
Molecular Weight266.61 g/mol
Exact Mass266.01
IUPAC Name3-chloro-N'-(2,2,2-trifluoroacetyl)benzohydrazide
SMILESO=C(NNC(=O)C(F)(F)F)c1cccc(Cl)c1
InChIInChI=1S/C9H6ClF3N2O2/c10-6-3-1-2-5(4-6)7(16)14-15-8(17)9(11,12)13/h1-4H,(H,14,16)(H,15,17)
InChIKeyNYKFFIMRABIEIY-UHFFFAOYSA-N
XLogP1.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.61
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-(2,2,2-trifluoroacetyl)benzohydrazide?
The IUPAC name of 3-chloro-N'-(2,2,2-trifluoroacetyl)benzohydrazide (CID 587166) is 3-chloro-N'-(2,2,2-trifluoroacetyl)benzohydrazide.
What is the SMILES notation for 3-chloro-N'-(2,2,2-trifluoroacetyl)benzohydrazide?
The canonical SMILES for 3-chloro-N'-(2,2,2-trifluoroacetyl)benzohydrazide is O=C(NNC(=O)C(F)(F)F)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N'-(2,2,2-trifluoroacetyl)benzohydrazide?
The InChIKey is NYKFFIMRABIEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF3N2O2/c10-6-3-1-2-5(4-6)7(16)14-15-8(17)9(11,12)13/h1-4H,(H,14,16)(H,15,17).
What are the key properties of 3-chloro-N'-(2,2,2-trifluoroacetyl)benzohydrazide?
3-chloro-N'-(2,2,2-trifluoroacetyl)benzohydrazide has a molecular weight of 266.61 g/mol, XLogP of 1.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-(2,2,2-trifluoroacetyl)benzohydrazide is sourced from PubChem (CID 587166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).