2-amino-4-(trifluoromethyl)benzohydrazide;ethane

C12H20F3N3O — CID 145124989

IUPAC2-amino-4-(trifluoromethyl)benzohydrazide;ethane
SMILESCC.CC.NNC(=O)c1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C8H8F3N3O.2C2H6/c9-8(10,11)4-1-2-5(6(12)3-4)7(15)14-13;2*1-2/h1-3H,12-13H2,(H,14,15);2*1-2H3
InChIKeyUGWFFOYBVDROPS-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.94
Rot. Bonds1

About 2-amino-4-(trifluoromethyl)benzohydrazide;ethane

2-amino-4-(trifluoromethyl)benzohydrazide;ethane (PubChem CID 145124989) has the molecular formula C12H20F3N3O and a molecular weight of 279.31 g/mol. Its IUPAC name is 2-amino-4-(trifluoromethyl)benzohydrazide;ethane.

Molecular Properties

Compound Name2-amino-4-(trifluoromethyl)benzohydrazide;ethane
PubChem CID145124989
Molecular FormulaC12H20F3N3O
Molecular Weight279.31 g/mol
Exact Mass279.16
IUPAC Name2-amino-4-(trifluoromethyl)benzohydrazide;ethane
SMILESCC.CC.NNC(=O)c1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C8H8F3N3O.2C2H6/c9-8(10,11)4-1-2-5(6(12)3-4)7(15)14-13;2*1-2/h1-3H,12-13H2,(H,14,15);2*1-2H3
InChIKeyUGWFFOYBVDROPS-UHFFFAOYSA-N
XLogP2.94
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.94
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

1-[2-amino-4-(trifluoromethyl)phenyl]-2-chloropropan-1-one
CID 166641473
2-amino-N-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzamide
CID 90317246
N-[2-amino-4-(trifluoromethyl)phenyl]acetamide
CID 2779452
ethane;methyl 2-amino-4-(1,1-difluoroethyl)benzoate
CID 143307075
2-amino-N-[2-(methylamino)-5-sulfamoylphenyl]-4-(trifluoromethyl)benzamide
CID 146093858
1,3-bis[2-methyl-4-(trifluoromethyl)phenyl]propane-1,3-dione
CID 57301024
2-amino-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)benzamide
CID 70098587
acetic acid;2-amino-4-(trifluoromethyl)phenol
CID 174902727
2-N-methyl-4-(trifluoromethyl)benzene-1,2-dicarboxamide
CID 70098702
2-amino-N-(2-ethylbutyl)-5-(trifluoromethyl)benzamide
CID 115738184
3-[2-amino-4-(trifluoromethyl)phenyl]-1,1-diethylurea
CID 79153883
N-ethoxy-2-iodo-4-(trifluoromethyl)benzamide
CID 91070985

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(trifluoromethyl)benzohydrazide;ethane?
The IUPAC name of 2-amino-4-(trifluoromethyl)benzohydrazide;ethane (CID 145124989) is 2-amino-4-(trifluoromethyl)benzohydrazide;ethane.
What is the SMILES notation for 2-amino-4-(trifluoromethyl)benzohydrazide;ethane?
The canonical SMILES for 2-amino-4-(trifluoromethyl)benzohydrazide;ethane is CC.CC.NNC(=O)c1ccc(C(F)(F)F)cc1N.
What is the InChIKey of 2-amino-4-(trifluoromethyl)benzohydrazide;ethane?
The InChIKey is UGWFFOYBVDROPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O.2C2H6/c9-8(10,11)4-1-2-5(6(12)3-4)7(15)14-13;2*1-2/h1-3H,12-13H2,(H,14,15);2*1-2H3.
What are the key properties of 2-amino-4-(trifluoromethyl)benzohydrazide;ethane?
2-amino-4-(trifluoromethyl)benzohydrazide;ethane has a molecular weight of 279.31 g/mol, XLogP of 2.94, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(trifluoromethyl)benzohydrazide;ethane is sourced from PubChem (CID 145124989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).