3-fluoro-N-methyl-2-(trifluoromethyl)benzohydrazide

C9H8F4N2O — CID 178112374

IUPAC3-fluoro-N-methyl-2-(trifluoromethyl)benzohydrazide
SMILESCN(N)C(=O)c1cccc(F)c1C(F)(F)F
InChIInChI=1S/C9H8F4N2O/c1-15(14)8(16)5-3-2-4-6(10)7(5)9(11,12)13/h2-4H,14H2,1H3
InChIKeyWFFCKYNHVIHSET-UHFFFAOYSA-N
MW236.17 g/mol
LogP1.79
Rot. Bonds1

About 3-fluoro-N-methyl-2-(trifluoromethyl)benzohydrazide

3-fluoro-N-methyl-2-(trifluoromethyl)benzohydrazide (PubChem CID 178112374) has the molecular formula C9H8F4N2O and a molecular weight of 236.17 g/mol. Its IUPAC name is 3-fluoro-N-methyl-2-(trifluoromethyl)benzohydrazide.

Molecular Properties

Compound Name3-fluoro-N-methyl-2-(trifluoromethyl)benzohydrazide
PubChem CID178112374
Molecular FormulaC9H8F4N2O
Molecular Weight236.17 g/mol
Exact Mass236.06
IUPAC Name3-fluoro-N-methyl-2-(trifluoromethyl)benzohydrazide
SMILESCN(N)C(=O)c1cccc(F)c1C(F)(F)F
InChIInChI=1S/C9H8F4N2O/c1-15(14)8(16)5-3-2-4-6(10)7(5)9(11,12)13/h2-4H,14H2,1H3
InChIKeyWFFCKYNHVIHSET-UHFFFAOYSA-N
XLogP1.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.17
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

3-fluoro-2-(trifluoromethyl)benzamide
CID 2774778
2,2,2-trichloro-1-[3-fluoro-2-(trifluoromethyl)phenyl]ethanone
CID 146009003
[2-[3-fluoro-2-(trifluoromethyl)phenyl]-2-oxoethyl] acetate
CID 146009007
2-ethyl-1-[3-fluoro-2-(trifluoromethyl)phenyl]butan-1-one
CID 146009023
2-tert-butyl-3-fluorobenzamide
CID 118328410
2,3-dihydroxy-N-methylbenzohydrazide
CID 142945868
[1-[3-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-1-oxopropan-2-yl] acetate
CID 146009028
2,2,3,3,4,4,5,5,5-nonafluoro-1-[3-fluoro-2-(trifluoromethyl)phenyl]pentan-1-one
CID 146009000
2-dimethoxyphosphoryl-1-[3-fluoro-2-(trifluoromethyl)phenyl]ethanone
CID 86609913
1-[3-fluoro-2-(trifluoromethyl)phenyl]-3-phenylpropan-1-one
CID 146009039
N,2-dimethylbenzohydrazide;hydrochloride
CID 21321934
1-[3-fluoro-2-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)ethanone
CID 170862183

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-2-(trifluoromethyl)benzohydrazide?
The IUPAC name of 3-fluoro-N-methyl-2-(trifluoromethyl)benzohydrazide (CID 178112374) is 3-fluoro-N-methyl-2-(trifluoromethyl)benzohydrazide.
What is the SMILES notation for 3-fluoro-N-methyl-2-(trifluoromethyl)benzohydrazide?
The canonical SMILES for 3-fluoro-N-methyl-2-(trifluoromethyl)benzohydrazide is CN(N)C(=O)c1cccc(F)c1C(F)(F)F.
What is the InChIKey of 3-fluoro-N-methyl-2-(trifluoromethyl)benzohydrazide?
The InChIKey is WFFCKYNHVIHSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4N2O/c1-15(14)8(16)5-3-2-4-6(10)7(5)9(11,12)13/h2-4H,14H2,1H3.
What are the key properties of 3-fluoro-N-methyl-2-(trifluoromethyl)benzohydrazide?
3-fluoro-N-methyl-2-(trifluoromethyl)benzohydrazide has a molecular weight of 236.17 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-2-(trifluoromethyl)benzohydrazide is sourced from PubChem (CID 178112374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).