2-(4-cyanophenyl)-2,2-difluoroacetohydrazide

C9H7F2N3O — CID 170755835

IUPAC2-(4-cyanophenyl)-2,2-difluoroacetohydrazide
SMILESN#Cc1ccc(C(F)(F)C(=O)NN)cc1
InChIInChI=1S/C9H7F2N3O/c10-9(11,8(15)14-13)7-3-1-6(5-12)2-4-7/h1-4H,13H2,(H,14,15)
InChIKeyHVASQXOGQHTLRA-UHFFFAOYSA-N
MW211.17 g/mol
LogP0.64
Rot. Bonds2

About 2-(4-cyanophenyl)-2,2-difluoroacetohydrazide

2-(4-cyanophenyl)-2,2-difluoroacetohydrazide (PubChem CID 170755835) has the molecular formula C9H7F2N3O and a molecular weight of 211.17 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-2,2-difluoroacetohydrazide.

Molecular Properties

Compound Name2-(4-cyanophenyl)-2,2-difluoroacetohydrazide
PubChem CID170755835
Molecular FormulaC9H7F2N3O
Molecular Weight211.17 g/mol
Exact Mass211.06
IUPAC Name2-(4-cyanophenyl)-2,2-difluoroacetohydrazide
SMILESN#Cc1ccc(C(F)(F)C(=O)NN)cc1
InChIInChI=1S/C9H7F2N3O/c10-9(11,8(15)14-13)7-3-1-6(5-12)2-4-7/h1-4H,13H2,(H,14,15)
InChIKeyHVASQXOGQHTLRA-UHFFFAOYSA-N
XLogP0.64
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.17
LogP ≤ 50.64
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-2,2-difluoroacetohydrazide?
The IUPAC name of 2-(4-cyanophenyl)-2,2-difluoroacetohydrazide (CID 170755835) is 2-(4-cyanophenyl)-2,2-difluoroacetohydrazide.
What is the SMILES notation for 2-(4-cyanophenyl)-2,2-difluoroacetohydrazide?
The canonical SMILES for 2-(4-cyanophenyl)-2,2-difluoroacetohydrazide is N#Cc1ccc(C(F)(F)C(=O)NN)cc1.
What is the InChIKey of 2-(4-cyanophenyl)-2,2-difluoroacetohydrazide?
The InChIKey is HVASQXOGQHTLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2N3O/c10-9(11,8(15)14-13)7-3-1-6(5-12)2-4-7/h1-4H,13H2,(H,14,15).
What are the key properties of 2-(4-cyanophenyl)-2,2-difluoroacetohydrazide?
2-(4-cyanophenyl)-2,2-difluoroacetohydrazide has a molecular weight of 211.17 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)-2,2-difluoroacetohydrazide is sourced from PubChem (CID 170755835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).