N'-[4-(trifluoromethoxy)phenyl]acetohydrazide;hydrochloride

C9H10ClF3N2O2 — CID 175311511

IUPACN'-[4-(trifluoromethoxy)phenyl]acetohydrazide;hydrochloride
SMILESCC(=O)NNc1ccc(OC(F)(F)F)cc1.Cl
InChIInChI=1S/C9H9F3N2O2.ClH/c1-6(15)13-14-7-2-4-8(5-3-7)16-9(10,11)12;/h2-5,14H,1H3,(H,13,15);1H
InChIKeyLSPYHTMWRSCDJX-UHFFFAOYSA-N
MW270.64 g/mol
LogP2.47
Rot. Bonds3

About N'-[4-(trifluoromethoxy)phenyl]acetohydrazide;hydrochloride

N'-[4-(trifluoromethoxy)phenyl]acetohydrazide;hydrochloride (PubChem CID 175311511) has the molecular formula C9H10ClF3N2O2 and a molecular weight of 270.64 g/mol. Its IUPAC name is N'-[4-(trifluoromethoxy)phenyl]acetohydrazide;hydrochloride.

Molecular Properties

Compound NameN'-[4-(trifluoromethoxy)phenyl]acetohydrazide;hydrochloride
PubChem CID175311511
Molecular FormulaC9H10ClF3N2O2
Molecular Weight270.64 g/mol
Exact Mass270.04
IUPAC NameN'-[4-(trifluoromethoxy)phenyl]acetohydrazide;hydrochloride
SMILESCC(=O)NNc1ccc(OC(F)(F)F)cc1.Cl
InChIInChI=1S/C9H9F3N2O2.ClH/c1-6(15)13-14-7-2-4-8(5-3-7)16-9(10,11)12;/h2-5,14H,1H3,(H,13,15);1H
InChIKeyLSPYHTMWRSCDJX-UHFFFAOYSA-N
XLogP2.47
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.64
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[4-(difluoromethoxy)phenyl]acetohydrazide
CID 174866017
N'-phenyl-4-(trifluoromethoxy)benzohydrazide
CID 78774950
N-[4-(trifluoromethoxy)phenyl]carbamoyl chloride
CID 22420988
[4-(trifluoromethoxy)phenyl]urea
CID 2779224
N-(4-acetamidophenyl)-2-[methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]acetamide
CID 31390122
4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]aniline
CID 87491792
1-(3-chlorophenyl)-3-[4-(trifluoromethoxy)anilino]urea
CID 46672807
4-(trifluoromethoxy)benzoic acid;hydrochloride
CID 70271899
ethane;N-methyl-4-(trifluoromethoxy)aniline
CID 143206092
1-[4-(4-acetylphenoxy)cyclohexyl]-3-[4-(trifluoromethoxy)anilino]urea
CID 59053948
1-[(3-fluoro-4-methylphenyl)methyl]-3-[4-(trifluoromethoxy)anilino]urea
CID 30886356
(2S)-2-chloro-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 2304863

Frequently Asked Questions

What is the IUPAC name of N'-[4-(trifluoromethoxy)phenyl]acetohydrazide;hydrochloride?
The IUPAC name of N'-[4-(trifluoromethoxy)phenyl]acetohydrazide;hydrochloride (CID 175311511) is N'-[4-(trifluoromethoxy)phenyl]acetohydrazide;hydrochloride.
What is the SMILES notation for N'-[4-(trifluoromethoxy)phenyl]acetohydrazide;hydrochloride?
The canonical SMILES for N'-[4-(trifluoromethoxy)phenyl]acetohydrazide;hydrochloride is CC(=O)NNc1ccc(OC(F)(F)F)cc1.Cl.
What is the InChIKey of N'-[4-(trifluoromethoxy)phenyl]acetohydrazide;hydrochloride?
The InChIKey is LSPYHTMWRSCDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2.ClH/c1-6(15)13-14-7-2-4-8(5-3-7)16-9(10,11)12;/h2-5,14H,1H3,(H,13,15);1H.
What are the key properties of N'-[4-(trifluoromethoxy)phenyl]acetohydrazide;hydrochloride?
N'-[4-(trifluoromethoxy)phenyl]acetohydrazide;hydrochloride has a molecular weight of 270.64 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(trifluoromethoxy)phenyl]acetohydrazide;hydrochloride is sourced from PubChem (CID 175311511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).