2-(4-bromo-3-methylphenoxy)-2,2-difluoroacetohydrazide

C9H9BrF2N2O2 — CID 83135008

IUPAC2-(4-bromo-3-methylphenoxy)-2,2-difluoroacetohydrazide
SMILESCc1cc(OC(F)(F)C(=O)NN)ccc1Br
InChIInChI=1S/C9H9BrF2N2O2/c1-5-4-6(2-3-7(5)10)16-9(11,12)8(15)14-13/h2-4H,13H2,1H3,(H,14,15)
InChIKeyFGHSOJLPEBWMFT-UHFFFAOYSA-N
MW295.08 g/mol
LogP1.72
Rot. Bonds3

About 2-(4-bromo-3-methylphenoxy)-2,2-difluoroacetohydrazide

2-(4-bromo-3-methylphenoxy)-2,2-difluoroacetohydrazide (PubChem CID 83135008) has the molecular formula C9H9BrF2N2O2 and a molecular weight of 295.08 g/mol. Its IUPAC name is 2-(4-bromo-3-methylphenoxy)-2,2-difluoroacetohydrazide.

Molecular Properties

Compound Name2-(4-bromo-3-methylphenoxy)-2,2-difluoroacetohydrazide
PubChem CID83135008
Molecular FormulaC9H9BrF2N2O2
Molecular Weight295.08 g/mol
Exact Mass293.98
IUPAC Name2-(4-bromo-3-methylphenoxy)-2,2-difluoroacetohydrazide
SMILESCc1cc(OC(F)(F)C(=O)NN)ccc1Br
InChIInChI=1S/C9H9BrF2N2O2/c1-5-4-6(2-3-7(5)10)16-9(11,12)8(15)14-13/h2-4H,13H2,1H3,(H,14,15)
InChIKeyFGHSOJLPEBWMFT-UHFFFAOYSA-N
XLogP1.72
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.08
LogP ≤ 51.72
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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Related Compounds

2-(4-bromo-3-methylphenoxy)-2,2-difluoroacetate
CID 162450902
(4-bromo-3-methylphenyl) 2,2,2-trifluoroacetate
CID 118797027
2,2-difluoro-2-(4-propanoylphenoxy)acetohydrazide
CID 63575837
3-(4-bromo-3-methylphenoxy)-2,2,3-trimethyl-N-[2-(trifluoromethyl)-4-pyridinyl]butanamide
CID 162732177
2-(4-butylphenoxy)-2,2-difluoroacetohydrazide
CID 115493486
methyl 2-(4-bromo-3-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetate
CID 66480986
2-[(4-bromo-3-methylphenoxy)methyl]-3,3,3-trifluoropropan-1-amine
CID 103366836
ethyl 2-(4-bromo-3-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetate
CID 66480988
2-(5,7-dibromoquinolin-8-yl)oxy-2,2-difluoroacetohydrazide
CID 63569614
2-(4-bromo-3-methylphenoxy)propanamide
CID 81302434
4-[(4-bromo-3-methylphenoxy)methyl]benzamide
CID 81300987
ethyl 4-(4-bromo-3-methylphenoxy)-3-oxobutanoate
CID 83140810

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylphenoxy)-2,2-difluoroacetohydrazide?
The IUPAC name of 2-(4-bromo-3-methylphenoxy)-2,2-difluoroacetohydrazide (CID 83135008) is 2-(4-bromo-3-methylphenoxy)-2,2-difluoroacetohydrazide.
What is the SMILES notation for 2-(4-bromo-3-methylphenoxy)-2,2-difluoroacetohydrazide?
The canonical SMILES for 2-(4-bromo-3-methylphenoxy)-2,2-difluoroacetohydrazide is Cc1cc(OC(F)(F)C(=O)NN)ccc1Br.
What is the InChIKey of 2-(4-bromo-3-methylphenoxy)-2,2-difluoroacetohydrazide?
The InChIKey is FGHSOJLPEBWMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF2N2O2/c1-5-4-6(2-3-7(5)10)16-9(11,12)8(15)14-13/h2-4H,13H2,1H3,(H,14,15).
What are the key properties of 2-(4-bromo-3-methylphenoxy)-2,2-difluoroacetohydrazide?
2-(4-bromo-3-methylphenoxy)-2,2-difluoroacetohydrazide has a molecular weight of 295.08 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylphenoxy)-2,2-difluoroacetohydrazide is sourced from PubChem (CID 83135008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).