2-[3-(trifluoromethoxy)phenyl]acetohydrazide

C9H9F3N2O2 — CID 142471729

IUPAC2-[3-(trifluoromethoxy)phenyl]acetohydrazide
SMILESNNC(=O)Cc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C9H9F3N2O2/c10-9(11,12)16-7-3-1-2-6(4-7)5-8(15)14-13/h1-4H,5,13H2,(H,14,15)
InChIKeyBDNPVOHOJVSBJW-UHFFFAOYSA-N
MW234.18 g/mol
LogP1.12
Rot. Bonds3

About 2-[3-(trifluoromethoxy)phenyl]acetohydrazide

2-[3-(trifluoromethoxy)phenyl]acetohydrazide (PubChem CID 142471729) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is 2-[3-(trifluoromethoxy)phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[3-(trifluoromethoxy)phenyl]acetohydrazide
PubChem CID142471729
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC Name2-[3-(trifluoromethoxy)phenyl]acetohydrazide
SMILESNNC(=O)Cc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C9H9F3N2O2/c10-9(11,12)16-7-3-1-2-6(4-7)5-8(15)14-13/h1-4H,5,13H2,(H,14,15)
InChIKeyBDNPVOHOJVSBJW-UHFFFAOYSA-N
XLogP1.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 51.12
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-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 68701338
1,5-bis[3-(trifluoromethoxy)phenyl]pentan-3-one
CID 150145529
1-(trifluoromethoxy)-3-[[3-(trifluoromethoxy)phenyl]methyl]benzene
CID 87763466
N-[(2S)-2-cyclopropyl-2-hydroxyethyl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 99850234
N-[6-(5-hydrazinyl-5-sulfanylidenepentyl)pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 142295007
methyl 2-amino-3-[3-(trifluoromethoxy)phenyl]propanoate;hydrochloride
CID 131841403
3-[3-(trifluoromethoxy)phenyl]propanoyl chloride
CID 22011082
2-[3-(trifluoromethoxy)phenyl]-N-[6-[2-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]sulfanylethylsulfanyl]pyridazin-3-yl]acetamide
CID 147214018
methyl 2-(aminomethyl)-3-[3-(trifluoromethoxy)phenyl]propanoate
CID 107104840
ethyl 4-[3-(trifluoromethoxy)phenyl]butanoate
CID 86728216
2-[3-(trifluoromethoxy)phenyl]-N-[5-[2-[[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 163515762
2-[3-(hydroxymethyl)phenyl]acetohydrazide
CID 153495753

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethoxy)phenyl]acetohydrazide?
The IUPAC name of 2-[3-(trifluoromethoxy)phenyl]acetohydrazide (CID 142471729) is 2-[3-(trifluoromethoxy)phenyl]acetohydrazide.
What is the SMILES notation for 2-[3-(trifluoromethoxy)phenyl]acetohydrazide?
The canonical SMILES for 2-[3-(trifluoromethoxy)phenyl]acetohydrazide is NNC(=O)Cc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2-[3-(trifluoromethoxy)phenyl]acetohydrazide?
The InChIKey is BDNPVOHOJVSBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2/c10-9(11,12)16-7-3-1-2-6(4-7)5-8(15)14-13/h1-4H,5,13H2,(H,14,15).
What are the key properties of 2-[3-(trifluoromethoxy)phenyl]acetohydrazide?
2-[3-(trifluoromethoxy)phenyl]acetohydrazide has a molecular weight of 234.18 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethoxy)phenyl]acetohydrazide is sourced from PubChem (CID 142471729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).