(1Z)-2,5-difluoro-N-methoxybenzenecarboximidoyl bromide

C8H6BrF2NO — CID 87179293

IUPAC(1Z)-2,5-difluoro-N-methoxybenzenecarboximidoyl bromide
SMILESCO/N=C(\Br)c1cc(F)ccc1F
InChIInChI=1S/C8H6BrF2NO/c1-13-12-8(9)6-4-5(10)2-3-7(6)11/h2-4H,1H3/b12-8-
InChIKeyVIXQXJJNHYGNAL-WQLSENKSSA-N
MW250.04 g/mol
LogP2.67
Rot. Bonds2

About (1Z)-2,5-difluoro-N-methoxybenzenecarboximidoyl bromide

(1Z)-2,5-difluoro-N-methoxybenzenecarboximidoyl bromide (PubChem CID 87179293) has the molecular formula C8H6BrF2NO and a molecular weight of 250.04 g/mol. Its IUPAC name is (1Z)-2,5-difluoro-N-methoxybenzenecarboximidoyl bromide.

Molecular Properties

Compound Name(1Z)-2,5-difluoro-N-methoxybenzenecarboximidoyl bromide
PubChem CID87179293
Molecular FormulaC8H6BrF2NO
Molecular Weight250.04 g/mol
Exact Mass248.96
IUPAC Name(1Z)-2,5-difluoro-N-methoxybenzenecarboximidoyl bromide
SMILESCO/N=C(\Br)c1cc(F)ccc1F
InChIInChI=1S/C8H6BrF2NO/c1-13-12-8(9)6-4-5(10)2-3-7(6)11/h2-4H,1H3/b12-8-
InChIKeyVIXQXJJNHYGNAL-WQLSENKSSA-N
XLogP2.67
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.04
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 (1Z)-2,5-difluoro-N-methoxybenzenecarboximidoyl bromide?
The IUPAC name of (1Z)-2,5-difluoro-N-methoxybenzenecarboximidoyl bromide (CID 87179293) is (1Z)-2,5-difluoro-N-methoxybenzenecarboximidoyl bromide.
What is the SMILES notation for (1Z)-2,5-difluoro-N-methoxybenzenecarboximidoyl bromide?
The canonical SMILES for (1Z)-2,5-difluoro-N-methoxybenzenecarboximidoyl bromide is CO/N=C(\Br)c1cc(F)ccc1F.
What is the InChIKey of (1Z)-2,5-difluoro-N-methoxybenzenecarboximidoyl bromide?
The InChIKey is VIXQXJJNHYGNAL-WQLSENKSSA-N. The full InChI is InChI=1S/C8H6BrF2NO/c1-13-12-8(9)6-4-5(10)2-3-7(6)11/h2-4H,1H3/b12-8-.
What are the key properties of (1Z)-2,5-difluoro-N-methoxybenzenecarboximidoyl bromide?
(1Z)-2,5-difluoro-N-methoxybenzenecarboximidoyl bromide has a molecular weight of 250.04 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2,5-difluoro-N-methoxybenzenecarboximidoyl bromide is sourced from PubChem (CID 87179293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).