4-(difluoromethyl)-3-fluorobenzohydrazide

C8H7F3N2O — CID 178127669

IUPAC4-(difluoromethyl)-3-fluorobenzohydrazide
SMILESNNC(=O)c1ccc(C(F)F)c(F)c1
InChIInChI=1S/C8H7F3N2O/c9-6-3-4(8(14)13-12)1-2-5(6)7(10)11/h1-3,7H,12H2,(H,13,14)
InChIKeyGXFIBDXSFBIMRL-UHFFFAOYSA-N
MW204.15 g/mol
LogP1.37
Rot. Bonds2

About 4-(difluoromethyl)-3-fluorobenzohydrazide

4-(difluoromethyl)-3-fluorobenzohydrazide (PubChem CID 178127669) has the molecular formula C8H7F3N2O and a molecular weight of 204.15 g/mol. Its IUPAC name is 4-(difluoromethyl)-3-fluorobenzohydrazide.

Molecular Properties

Compound Name4-(difluoromethyl)-3-fluorobenzohydrazide
PubChem CID178127669
Molecular FormulaC8H7F3N2O
Molecular Weight204.15 g/mol
Exact Mass204.05
IUPAC Name4-(difluoromethyl)-3-fluorobenzohydrazide
SMILESNNC(=O)c1ccc(C(F)F)c(F)c1
InChIInChI=1S/C8H7F3N2O/c9-6-3-4(8(14)13-12)1-2-5(6)7(10)11/h1-3,7H,12H2,(H,13,14)
InChIKeyGXFIBDXSFBIMRL-UHFFFAOYSA-N
XLogP1.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.15
LogP ≤ 51.37
H-Bond Donors ≤ 52
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-bromo-1-[4-(difluoromethyl)-3-fluorophenyl]propan-1-one
CID 134625407
4-(difluoromethyl)-3-fluoro-N-[4-(2-hydroxyethyl)oxan-4-yl]benzamide
CID 138026885
ethyl 2-[4-(difluoromethyl)-3-fluorophenyl]-2-oxoacetate
CID 91658512
3-amino-4-fluorobenzohydrazide;hydrochloride
CID 131133629
3-methyl-4-propan-2-ylbenzohydrazide
CID 130427973
3-cyano-4-fluorobenzohydrazide
CID 59234832
4-fluorobenzohydrazide
CID 9972
4-(difluoromethyl)-3-fluoro-N-[2-(oxan-4-yl)propan-2-yl]benzamide
CID 138023225
[4-(difluoromethyl)-3-fluorophenyl]hydrazine
CID 118801431
4-(difluoromethyl)-N-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)-3-fluorobenzamide
CID 136570579
2-[4-(difluoromethyl)-3-fluorophenyl]-2-hydroxyacetic acid
CID 117313687
4-amino-3-fluoro-N-(4-hydroxybutan-2-yl)benzamide
CID 83176506

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-3-fluorobenzohydrazide?
The IUPAC name of 4-(difluoromethyl)-3-fluorobenzohydrazide (CID 178127669) is 4-(difluoromethyl)-3-fluorobenzohydrazide.
What is the SMILES notation for 4-(difluoromethyl)-3-fluorobenzohydrazide?
The canonical SMILES for 4-(difluoromethyl)-3-fluorobenzohydrazide is NNC(=O)c1ccc(C(F)F)c(F)c1.
What is the InChIKey of 4-(difluoromethyl)-3-fluorobenzohydrazide?
The InChIKey is GXFIBDXSFBIMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O/c9-6-3-4(8(14)13-12)1-2-5(6)7(10)11/h1-3,7H,12H2,(H,13,14).
What are the key properties of 4-(difluoromethyl)-3-fluorobenzohydrazide?
4-(difluoromethyl)-3-fluorobenzohydrazide has a molecular weight of 204.15 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-3-fluorobenzohydrazide is sourced from PubChem (CID 178127669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).