2-(3,4-dimethylphenyl)-2,2-difluoroacetohydrazide

C10H12F2N2O — CID 170755816

IUPAC2-(3,4-dimethylphenyl)-2,2-difluoroacetohydrazide
SMILESCc1ccc(C(F)(F)C(=O)NN)cc1C
InChIInChI=1S/C10H12F2N2O/c1-6-3-4-8(5-7(6)2)10(11,12)9(15)14-13/h3-5H,13H2,1-2H3,(H,14,15)
InChIKeyGESVOAFSEYKFHY-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.39
Rot. Bonds2

About 2-(3,4-dimethylphenyl)-2,2-difluoroacetohydrazide

2-(3,4-dimethylphenyl)-2,2-difluoroacetohydrazide (PubChem CID 170755816) has the molecular formula C10H12F2N2O and a molecular weight of 214.22 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-2,2-difluoroacetohydrazide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-2,2-difluoroacetohydrazide
PubChem CID170755816
Molecular FormulaC10H12F2N2O
Molecular Weight214.22 g/mol
Exact Mass214.09
IUPAC Name2-(3,4-dimethylphenyl)-2,2-difluoroacetohydrazide
SMILESCc1ccc(C(F)(F)C(=O)NN)cc1C
InChIInChI=1S/C10H12F2N2O/c1-6-3-4-8(5-7(6)2)10(11,12)9(15)14-13/h3-5H,13H2,1-2H3,(H,14,15)
InChIKeyGESVOAFSEYKFHY-UHFFFAOYSA-N
XLogP1.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.39
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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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-2,2-difluoroacetohydrazide?
The IUPAC name of 2-(3,4-dimethylphenyl)-2,2-difluoroacetohydrazide (CID 170755816) is 2-(3,4-dimethylphenyl)-2,2-difluoroacetohydrazide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-2,2-difluoroacetohydrazide?
The canonical SMILES for 2-(3,4-dimethylphenyl)-2,2-difluoroacetohydrazide is Cc1ccc(C(F)(F)C(=O)NN)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-2,2-difluoroacetohydrazide?
The InChIKey is GESVOAFSEYKFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O/c1-6-3-4-8(5-7(6)2)10(11,12)9(15)14-13/h3-5H,13H2,1-2H3,(H,14,15).
What are the key properties of 2-(3,4-dimethylphenyl)-2,2-difluoroacetohydrazide?
2-(3,4-dimethylphenyl)-2,2-difluoroacetohydrazide has a molecular weight of 214.22 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-2,2-difluoroacetohydrazide is sourced from PubChem (CID 170755816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).