2-bromo-4,5-difluoro-N,N-dimethylbenzenecarboximidamide

C9H9BrF2N2 — CID 130543187

IUPAC2-bromo-4,5-difluoro-N,N-dimethylbenzenecarboximidamide
SMILES[H]/N=C(/c1cc(F)c(F)cc1Br)N(C)C
InChIInChI=1S/C9H9BrF2N2/c1-14(2)9(13)5-3-7(11)8(12)4-6(5)10/h3-4,13H,1-2H3/b13-9-
InChIKeyPFSDXEOFNVSNNA-LCYFTJDESA-N
MW263.08 g/mol
LogP2.61
Rot. Bonds1

About 2-bromo-4,5-difluoro-N,N-dimethylbenzenecarboximidamide

2-bromo-4,5-difluoro-N,N-dimethylbenzenecarboximidamide (PubChem CID 130543187) has the molecular formula C9H9BrF2N2 and a molecular weight of 263.08 g/mol. Its IUPAC name is 2-bromo-4,5-difluoro-N,N-dimethylbenzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-4,5-difluoro-N,N-dimethylbenzenecarboximidamide
PubChem CID130543187
Molecular FormulaC9H9BrF2N2
Molecular Weight263.08 g/mol
Exact Mass261.99
IUPAC Name2-bromo-4,5-difluoro-N,N-dimethylbenzenecarboximidamide
SMILES[H]/N=C(/c1cc(F)c(F)cc1Br)N(C)C
InChIInChI=1S/C9H9BrF2N2/c1-14(2)9(13)5-3-7(11)8(12)4-6(5)10/h3-4,13H,1-2H3/b13-9-
InChIKeyPFSDXEOFNVSNNA-LCYFTJDESA-N
XLogP2.61
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.08
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-bromo-4,5-difluoro-N,N-dimethylbenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,5-difluoro-N,N-dimethylbenzenecarboximidamide?
The IUPAC name of 2-bromo-4,5-difluoro-N,N-dimethylbenzenecarboximidamide (CID 130543187) is 2-bromo-4,5-difluoro-N,N-dimethylbenzenecarboximidamide.
What is the SMILES notation for 2-bromo-4,5-difluoro-N,N-dimethylbenzenecarboximidamide?
The canonical SMILES for 2-bromo-4,5-difluoro-N,N-dimethylbenzenecarboximidamide is [H]/N=C(/c1cc(F)c(F)cc1Br)N(C)C.
What is the InChIKey of 2-bromo-4,5-difluoro-N,N-dimethylbenzenecarboximidamide?
The InChIKey is PFSDXEOFNVSNNA-LCYFTJDESA-N. The full InChI is InChI=1S/C9H9BrF2N2/c1-14(2)9(13)5-3-7(11)8(12)4-6(5)10/h3-4,13H,1-2H3/b13-9-.
What are the key properties of 2-bromo-4,5-difluoro-N,N-dimethylbenzenecarboximidamide?
2-bromo-4,5-difluoro-N,N-dimethylbenzenecarboximidamide has a molecular weight of 263.08 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,5-difluoro-N,N-dimethylbenzenecarboximidamide is sourced from PubChem (CID 130543187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).