ethane;4-(trifluoromethoxy)benzohydrazide

C10H13F3N2O2 — CID 144580536

IUPACethane;4-(trifluoromethoxy)benzohydrazide
SMILESCC.NNC(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C8H7F3N2O2.C2H6/c9-8(10,11)15-6-3-1-5(2-4-6)7(14)13-12;1-2/h1-4H,12H2,(H,13,14);1-2H3
InChIKeyLOIDKLDHVFZQIQ-UHFFFAOYSA-N
MW250.22 g/mol
LogP2.21
Rot. Bonds2

About ethane;4-(trifluoromethoxy)benzohydrazide

ethane;4-(trifluoromethoxy)benzohydrazide (PubChem CID 144580536) has the molecular formula C10H13F3N2O2 and a molecular weight of 250.22 g/mol. Its IUPAC name is ethane;4-(trifluoromethoxy)benzohydrazide.

Molecular Properties

Compound Nameethane;4-(trifluoromethoxy)benzohydrazide
PubChem CID144580536
Molecular FormulaC10H13F3N2O2
Molecular Weight250.22 g/mol
Exact Mass250.09
IUPAC Nameethane;4-(trifluoromethoxy)benzohydrazide
SMILESCC.NNC(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C8H7F3N2O2.C2H6/c9-8(10,11)15-6-3-1-5(2-4-6)7(14)13-12;1-2/h1-4H,12H2,(H,13,14);1-2H3
InChIKeyLOIDKLDHVFZQIQ-UHFFFAOYSA-N
XLogP2.21
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-bromo-2-methylpropan-2-yl)-4-(trifluoromethoxy)benzamide
CID 116629348
N-(2-aminopropyl)-4-(trifluoromethoxy)benzamide
CID 116629079
2-methoxyethyl 4-(trifluoromethoxy)benzoate
CID 78831247
N-[1-bromo-2-(bromomethyl)butan-2-yl]-4-(trifluoromethoxy)benzamide
CID 107868078
[4-(trifluoromethoxy)phenyl] N-aminocarbamate
CID 143175748
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-(trifluoromethoxy)benzamide
CID 103602335
4-(trifluoromethoxy)-N-[8-[[4-(trifluoromethoxy)benzoyl]amino]nonan-2-yl]benzamide
CID 21452885
2-[4-(trifluoromethoxy)phenoxy]acetohydrazide
CID 2777305
N-prop-2-enyl-4-(trifluoromethoxy)benzamide
CID 22616308
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249
N-(1-amino-1-sulfanylidenepropan-2-yl)-4-(trifluoromethoxy)benzamide
CID 116628724
N-(1-hydroxy-2-methylbutan-2-yl)-4-(trifluoromethoxy)benzamide
CID 64555572

Frequently Asked Questions

What is the IUPAC name of ethane;4-(trifluoromethoxy)benzohydrazide?
The IUPAC name of ethane;4-(trifluoromethoxy)benzohydrazide (CID 144580536) is ethane;4-(trifluoromethoxy)benzohydrazide.
What is the SMILES notation for ethane;4-(trifluoromethoxy)benzohydrazide?
The canonical SMILES for ethane;4-(trifluoromethoxy)benzohydrazide is CC.NNC(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of ethane;4-(trifluoromethoxy)benzohydrazide?
The InChIKey is LOIDKLDHVFZQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2.C2H6/c9-8(10,11)15-6-3-1-5(2-4-6)7(14)13-12;1-2/h1-4H,12H2,(H,13,14);1-2H3.
What are the key properties of ethane;4-(trifluoromethoxy)benzohydrazide?
ethane;4-(trifluoromethoxy)benzohydrazide has a molecular weight of 250.22 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(trifluoromethoxy)benzohydrazide is sourced from PubChem (CID 144580536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).