2-[(4-bromophenyl)methoxy]-2,2-difluoroacetohydrazide

C9H9BrF2N2O2 — CID 82825977

IUPAC2-[(4-bromophenyl)methoxy]-2,2-difluoroacetohydrazide
SMILESNNC(=O)C(F)(F)OCc1ccc(Br)cc1
InChIInChI=1S/C9H9BrF2N2O2/c10-7-3-1-6(2-4-7)5-16-9(11,12)8(15)14-13/h1-4H,5,13H2,(H,14,15)
InChIKeyNUBBEILDCSDXKQ-UHFFFAOYSA-N
MW295.08 g/mol
LogP1.55
Rot. Bonds4

About 2-[(4-bromophenyl)methoxy]-2,2-difluoroacetohydrazide

2-[(4-bromophenyl)methoxy]-2,2-difluoroacetohydrazide (PubChem CID 82825977) has the molecular formula C9H9BrF2N2O2 and a molecular weight of 295.08 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methoxy]-2,2-difluoroacetohydrazide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methoxy]-2,2-difluoroacetohydrazide
PubChem CID82825977
Molecular FormulaC9H9BrF2N2O2
Molecular Weight295.08 g/mol
Exact Mass293.98
IUPAC Name2-[(4-bromophenyl)methoxy]-2,2-difluoroacetohydrazide
SMILESNNC(=O)C(F)(F)OCc1ccc(Br)cc1
InChIInChI=1S/C9H9BrF2N2O2/c10-7-3-1-6(2-4-7)5-16-9(11,12)8(15)14-13/h1-4H,5,13H2,(H,14,15)
InChIKeyNUBBEILDCSDXKQ-UHFFFAOYSA-N
XLogP1.55
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.08
LogP ≤ 51.55
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-bromophenyl)methoxy]-2,2-difluoroacetohydrazide?
The IUPAC name of 2-[(4-bromophenyl)methoxy]-2,2-difluoroacetohydrazide (CID 82825977) is 2-[(4-bromophenyl)methoxy]-2,2-difluoroacetohydrazide.
What is the SMILES notation for 2-[(4-bromophenyl)methoxy]-2,2-difluoroacetohydrazide?
The canonical SMILES for 2-[(4-bromophenyl)methoxy]-2,2-difluoroacetohydrazide is NNC(=O)C(F)(F)OCc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methoxy]-2,2-difluoroacetohydrazide?
The InChIKey is NUBBEILDCSDXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF2N2O2/c10-7-3-1-6(2-4-7)5-16-9(11,12)8(15)14-13/h1-4H,5,13H2,(H,14,15).
What are the key properties of 2-[(4-bromophenyl)methoxy]-2,2-difluoroacetohydrazide?
2-[(4-bromophenyl)methoxy]-2,2-difluoroacetohydrazide has a molecular weight of 295.08 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methoxy]-2,2-difluoroacetohydrazide is sourced from PubChem (CID 82825977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).