2-amino-N-(2,2,2-trifluoroethyl)benzohydrazide

C9H10F3N3O — CID 57193605

IUPAC2-amino-N-(2,2,2-trifluoroethyl)benzohydrazide
SMILESNc1ccccc1C(=O)N(N)CC(F)(F)F
InChIInChI=1S/C9H10F3N3O/c10-9(11,12)5-15(14)8(16)6-3-1-2-4-7(6)13/h1-4H,5,13-14H2
InChIKeyBMMJSOIVUBRDNU-UHFFFAOYSA-N
MW233.19 g/mol
LogP1.15
Rot. Bonds2

About 2-amino-N-(2,2,2-trifluoroethyl)benzohydrazide

2-amino-N-(2,2,2-trifluoroethyl)benzohydrazide (PubChem CID 57193605) has the molecular formula C9H10F3N3O and a molecular weight of 233.19 g/mol. Its IUPAC name is 2-amino-N-(2,2,2-trifluoroethyl)benzohydrazide.

Molecular Properties

Compound Name2-amino-N-(2,2,2-trifluoroethyl)benzohydrazide
PubChem CID57193605
Molecular FormulaC9H10F3N3O
Molecular Weight233.19 g/mol
Exact Mass233.08
IUPAC Name2-amino-N-(2,2,2-trifluoroethyl)benzohydrazide
SMILESNc1ccccc1C(=O)N(N)CC(F)(F)F
InChIInChI=1S/C9H10F3N3O/c10-9(11,12)5-15(14)8(16)6-3-1-2-4-7(6)13/h1-4H,5,13-14H2
InChIKeyBMMJSOIVUBRDNU-UHFFFAOYSA-N
XLogP1.15
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-N-(2,2,2-trifluoroethyl)benzohydrazide 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-hydrazinyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 62235512
2-amino-N-methyl-N-propan-2-ylbenzamide
CID 16783285
2-amino-N-tert-butyl-N-ethylbenzamide
CID 15894058
2-amino-N,N-dipropylbenzamide
CID 16769117
2-aminobenzoic acid;azane
CID 21425790
2-amino-N-(3-amino-2,2-difluoropropyl)benzamide
CID 122081037
2-amino-N,N-dipropylbenzamide;hydrochloride
CID 119943594
2-amino-N-carbamoyl-N-phenylbenzamide
CID 175153164
N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78865711
2-amino-N-(2,6-difluorophenyl)-N-methylbenzamide
CID 82090708
2-amino-N-butan-2-yl-N-ethylbenzamide
CID 43274061
2-amino-N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]benzamide;hydrochloride
CID 119945788

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2,2-trifluoroethyl)benzohydrazide?
The IUPAC name of 2-amino-N-(2,2,2-trifluoroethyl)benzohydrazide (CID 57193605) is 2-amino-N-(2,2,2-trifluoroethyl)benzohydrazide.
What is the SMILES notation for 2-amino-N-(2,2,2-trifluoroethyl)benzohydrazide?
The canonical SMILES for 2-amino-N-(2,2,2-trifluoroethyl)benzohydrazide is Nc1ccccc1C(=O)N(N)CC(F)(F)F.
What is the InChIKey of 2-amino-N-(2,2,2-trifluoroethyl)benzohydrazide?
The InChIKey is BMMJSOIVUBRDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O/c10-9(11,12)5-15(14)8(16)6-3-1-2-4-7(6)13/h1-4H,5,13-14H2.
What are the key properties of 2-amino-N-(2,2,2-trifluoroethyl)benzohydrazide?
2-amino-N-(2,2,2-trifluoroethyl)benzohydrazide has a molecular weight of 233.19 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,2,2-trifluoroethyl)benzohydrazide is sourced from PubChem (CID 57193605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).