3-amino-5-(trifluoromethyl)benzohydrazide

C8H8F3N3O — CID 90020746

IUPAC3-amino-5-(trifluoromethyl)benzohydrazide
SMILESNNC(=O)c1cc(N)cc(C(F)(F)F)c1
InChIInChI=1S/C8H8F3N3O/c9-8(10,11)5-1-4(7(15)14-13)2-6(12)3-5/h1-3H,12-13H2,(H,14,15)
InChIKeySTTKDLLYUQVIHQ-UHFFFAOYSA-N
MW219.17 g/mol
LogP0.89
Rot. Bonds1

About 3-amino-5-(trifluoromethyl)benzohydrazide

3-amino-5-(trifluoromethyl)benzohydrazide (PubChem CID 90020746) has the molecular formula C8H8F3N3O and a molecular weight of 219.17 g/mol. Its IUPAC name is 3-amino-5-(trifluoromethyl)benzohydrazide.

Molecular Properties

Compound Name3-amino-5-(trifluoromethyl)benzohydrazide
PubChem CID90020746
Molecular FormulaC8H8F3N3O
Molecular Weight219.17 g/mol
Exact Mass219.06
IUPAC Name3-amino-5-(trifluoromethyl)benzohydrazide
SMILESNNC(=O)c1cc(N)cc(C(F)(F)F)c1
InChIInChI=1S/C8H8F3N3O/c9-8(10,11)5-1-4(7(15)14-13)2-6(12)3-5/h1-3H,12-13H2,(H,14,15)
InChIKeySTTKDLLYUQVIHQ-UHFFFAOYSA-N
XLogP0.89
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.17
LogP ≤ 50.89
H-Bond Donors ≤ 53
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'}

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Related Compounds

3-amino-5-(trifluoromethyl)benzoic acid;ethane
CID 144657223
3-amino-N-[(2S)-2-(dimethylamino)propyl]-5-(trifluoromethyl)benzamide
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3-amino-N-(diaminomethylidene)-5-(trifluoromethyl)benzamide
CID 22076624
3-amino-N-[2-(3-methylpyrrolidin-1-yl)ethyl]-5-(trifluoromethyl)benzamide
CID 175229917
[[3,5-bis(trifluoromethyl)benzoyl]amino]thiourea
CID 2743161
3-methyl-N-propyl-5-(trifluoromethyl)benzamide
CID 71119889
1-[3,5-bis(trifluoromethyl)phenyl]-2-iodoethanone
CID 22138000
3-[2-[3-amino-5-(trifluoromethyl)phenyl]-1,1,2,2-tetrafluoroethyl]-5-(trifluoromethyl)aniline
CID 23368887
N-[(2S)-1-amino-3,3-dimethylbutan-2-yl]-3,5-bis(trifluoromethyl)benzamide
CID 129289013
diethyl 2-[[3,5-bis(trifluoromethyl)benzoyl]amino]propanedioate
CID 33240327
N-(2-aminoethyl)-3-iodo-5-(trifluoromethyl)benzamide
CID 119384158
N-(3-bromopropyl)-3,5-bis(trifluoromethyl)benzamide
CID 132941155

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(trifluoromethyl)benzohydrazide?
The IUPAC name of 3-amino-5-(trifluoromethyl)benzohydrazide (CID 90020746) is 3-amino-5-(trifluoromethyl)benzohydrazide.
What is the SMILES notation for 3-amino-5-(trifluoromethyl)benzohydrazide?
The canonical SMILES for 3-amino-5-(trifluoromethyl)benzohydrazide is NNC(=O)c1cc(N)cc(C(F)(F)F)c1.
What is the InChIKey of 3-amino-5-(trifluoromethyl)benzohydrazide?
The InChIKey is STTKDLLYUQVIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O/c9-8(10,11)5-1-4(7(15)14-13)2-6(12)3-5/h1-3H,12-13H2,(H,14,15).
What are the key properties of 3-amino-5-(trifluoromethyl)benzohydrazide?
3-amino-5-(trifluoromethyl)benzohydrazide has a molecular weight of 219.17 g/mol, XLogP of 0.89, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(trifluoromethyl)benzohydrazide is sourced from PubChem (CID 90020746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).