4-bromo-2-fluoro-N'-methylbenzenecarboximidamide

C8H8BrFN2 — CID 90439651

IUPAC4-bromo-2-fluoro-N'-methylbenzenecarboximidamide
SMILESC/N=C(\N)c1ccc(Br)cc1F
InChIInChI=1S/C8H8BrFN2/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4H,1H3,(H2,11,12)
InChIKeyPXUUHUMXXDJLEM-UHFFFAOYSA-N
MW231.07 g/mol
LogP1.92
Rot. Bonds1

About 4-bromo-2-fluoro-N'-methylbenzenecarboximidamide

4-bromo-2-fluoro-N'-methylbenzenecarboximidamide (PubChem CID 90439651) has the molecular formula C8H8BrFN2 and a molecular weight of 231.07 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N'-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N'-methylbenzenecarboximidamide
PubChem CID90439651
Molecular FormulaC8H8BrFN2
Molecular Weight231.07 g/mol
Exact Mass229.99
IUPAC Name4-bromo-2-fluoro-N'-methylbenzenecarboximidamide
SMILESC/N=C(\N)c1ccc(Br)cc1F
InChIInChI=1S/C8H8BrFN2/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4H,1H3,(H2,11,12)
InChIKeyPXUUHUMXXDJLEM-UHFFFAOYSA-N
XLogP1.92
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.07
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N'-methylbenzenecarboximidamide?
The IUPAC name of 4-bromo-2-fluoro-N'-methylbenzenecarboximidamide (CID 90439651) is 4-bromo-2-fluoro-N'-methylbenzenecarboximidamide.
What is the SMILES notation for 4-bromo-2-fluoro-N'-methylbenzenecarboximidamide?
The canonical SMILES for 4-bromo-2-fluoro-N'-methylbenzenecarboximidamide is C/N=C(\N)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-N'-methylbenzenecarboximidamide?
The InChIKey is PXUUHUMXXDJLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrFN2/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4H,1H3,(H2,11,12).
What are the key properties of 4-bromo-2-fluoro-N'-methylbenzenecarboximidamide?
4-bromo-2-fluoro-N'-methylbenzenecarboximidamide has a molecular weight of 231.07 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N'-methylbenzenecarboximidamide is sourced from PubChem (CID 90439651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).