2-(5-chloro-2-fluorophenyl)-2-methylpropanehydrazide

C10H12ClFN2O — CID 116844040

IUPAC2-(5-chloro-2-fluorophenyl)-2-methylpropanehydrazide
SMILESCC(C)(C(=O)NN)c1cc(Cl)ccc1F
InChIInChI=1S/C10H12ClFN2O/c1-10(2,9(15)14-13)7-5-6(11)3-4-8(7)12/h3-5H,13H2,1-2H3,(H,14,15)
InChIKeyBDNDNFJFFLRVFB-UHFFFAOYSA-N
MW230.67 g/mol
LogP1.75
Rot. Bonds2

About 2-(5-chloro-2-fluorophenyl)-2-methylpropanehydrazide

2-(5-chloro-2-fluorophenyl)-2-methylpropanehydrazide (PubChem CID 116844040) has the molecular formula C10H12ClFN2O and a molecular weight of 230.67 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-2-methylpropanehydrazide.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-2-methylpropanehydrazide
PubChem CID116844040
Molecular FormulaC10H12ClFN2O
Molecular Weight230.67 g/mol
Exact Mass230.06
IUPAC Name2-(5-chloro-2-fluorophenyl)-2-methylpropanehydrazide
SMILESCC(C)(C(=O)NN)c1cc(Cl)ccc1F
InChIInChI=1S/C10H12ClFN2O/c1-10(2,9(15)14-13)7-5-6(11)3-4-8(7)12/h3-5H,13H2,1-2H3,(H,14,15)
InChIKeyBDNDNFJFFLRVFB-UHFFFAOYSA-N
XLogP1.75
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 51.75
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

2-(2-chloro-5-fluoro-4-methylphenyl)-2-methylpropanehydrazide
CID 116844099
2-(4-fluoro-3-methylphenyl)-2-methylpropanehydrazide
CID 116843969
2-tert-butyl-4-chloro-1-fluorobenzene
CID 58745497
2-(2,5-difluorophenyl)-N',2-dimethylpropanehydrazide
CID 116847169
2-[[2-(5-chloro-2-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 115260376
3-(3-chloro-4-fluorophenoxy)-2,2-dimethylpropanehydrazide
CID 79627308
2-(2-fluorophenyl)-N,2-dimethylpropanamide
CID 168736996
3-amino-1-(5-chloro-2-fluorophenyl)-1-methylurea
CID 115192535
2-(4-aminophenyl)-N-(4-chloro-2-fluorophenyl)-2-methylpropanamide
CID 80555203
2-(4-chloro-2-fluorophenyl)acetohydrazide
CID 162677805
2-(2-fluoro-5-methylphenyl)-2-methylpropanoic acid
CID 62394143
2-carbamothioyl-N-(5-chloro-2-fluorophenyl)-2-methylbutanamide
CID 113270498

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-2-methylpropanehydrazide?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-2-methylpropanehydrazide (CID 116844040) is 2-(5-chloro-2-fluorophenyl)-2-methylpropanehydrazide.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-2-methylpropanehydrazide?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-2-methylpropanehydrazide is CC(C)(C(=O)NN)c1cc(Cl)ccc1F.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-2-methylpropanehydrazide?
The InChIKey is BDNDNFJFFLRVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O/c1-10(2,9(15)14-13)7-5-6(11)3-4-8(7)12/h3-5H,13H2,1-2H3,(H,14,15).
What are the key properties of 2-(5-chloro-2-fluorophenyl)-2-methylpropanehydrazide?
2-(5-chloro-2-fluorophenyl)-2-methylpropanehydrazide has a molecular weight of 230.67 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-2-methylpropanehydrazide is sourced from PubChem (CID 116844040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).