2-bromo-2,2-difluoro-N-(4-methoxyphenyl)ethanimidoyl chloride

C9H7BrClF2NO — CID 86064407

IUPAC2-bromo-2,2-difluoro-N-(4-methoxyphenyl)ethanimidoyl chloride
SMILESCOc1ccc(/N=C(\Cl)C(F)(F)Br)cc1
InChIInChI=1S/C9H7BrClF2NO/c1-15-7-4-2-6(3-5-7)14-8(11)9(10,12)13/h2-5H,1H3/b14-8-
InChIKeyWTGXXUKLKQPLNS-ZSOIEALJSA-N
MW298.51 g/mol
LogP3.95
Rot. Bonds3

About 2-bromo-2,2-difluoro-N-(4-methoxyphenyl)ethanimidoyl chloride

2-bromo-2,2-difluoro-N-(4-methoxyphenyl)ethanimidoyl chloride (PubChem CID 86064407) has the molecular formula C9H7BrClF2NO and a molecular weight of 298.51 g/mol. Its IUPAC name is 2-bromo-2,2-difluoro-N-(4-methoxyphenyl)ethanimidoyl chloride.

Molecular Properties

Compound Name2-bromo-2,2-difluoro-N-(4-methoxyphenyl)ethanimidoyl chloride
PubChem CID86064407
Molecular FormulaC9H7BrClF2NO
Molecular Weight298.51 g/mol
Exact Mass296.94
IUPAC Name2-bromo-2,2-difluoro-N-(4-methoxyphenyl)ethanimidoyl chloride
SMILESCOc1ccc(/N=C(\Cl)C(F)(F)Br)cc1
InChIInChI=1S/C9H7BrClF2NO/c1-15-7-4-2-6(3-5-7)14-8(11)9(10,12)13/h2-5H,1H3/b14-8-
InChIKeyWTGXXUKLKQPLNS-ZSOIEALJSA-N
XLogP3.95
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.51
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1,1-trifluoro-N-(4-methoxyphenyl)propan-2-imine
CID 14116536
2-bromo-2,2-difluoro-1-(3-methoxyphenyl)-N-(4-methoxyphenyl)ethanimine
CID 135006703
1-[tert-butyl(dimethyl)silyl]-2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimine
CID 10543533
2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimidoyl cyanide
CID 102573910
5,5,5-trifluoro-N-(4-methoxyphenyl)pent-3-yn-2-imine
CID 90221391
N'-(4-methoxyphenyl)-N,N,2,2-tetramethylpropanimidamide
CID 525889
N-(4-chlorophenyl)-4-methoxybenzenecarboximidoyl chloride
CID 24827368
2-(4-methoxyphenyl)guanidine;hydrochloride
CID 22594132
1,1,1-trifluoro-N-(4-methoxyphenyl)hexan-2-imine
CID 102053586
2,2,2-trifluoro-N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanimine
CID 53483171
N-(3,4-dichlorophenyl)-2,2,2-trifluoro-N'-(4-methoxyphenyl)ethanimidamide
CID 10473868
1,2,3-tris(4-methoxyphenyl)guanidine
CID 12737122

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2,2-difluoro-N-(4-methoxyphenyl)ethanimidoyl chloride?
The IUPAC name of 2-bromo-2,2-difluoro-N-(4-methoxyphenyl)ethanimidoyl chloride (CID 86064407) is 2-bromo-2,2-difluoro-N-(4-methoxyphenyl)ethanimidoyl chloride.
What is the SMILES notation for 2-bromo-2,2-difluoro-N-(4-methoxyphenyl)ethanimidoyl chloride?
The canonical SMILES for 2-bromo-2,2-difluoro-N-(4-methoxyphenyl)ethanimidoyl chloride is COc1ccc(/N=C(\Cl)C(F)(F)Br)cc1.
What is the InChIKey of 2-bromo-2,2-difluoro-N-(4-methoxyphenyl)ethanimidoyl chloride?
The InChIKey is WTGXXUKLKQPLNS-ZSOIEALJSA-N. The full InChI is InChI=1S/C9H7BrClF2NO/c1-15-7-4-2-6(3-5-7)14-8(11)9(10,12)13/h2-5H,1H3/b14-8-.
What are the key properties of 2-bromo-2,2-difluoro-N-(4-methoxyphenyl)ethanimidoyl chloride?
2-bromo-2,2-difluoro-N-(4-methoxyphenyl)ethanimidoyl chloride has a molecular weight of 298.51 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2,2-difluoro-N-(4-methoxyphenyl)ethanimidoyl chloride is sourced from PubChem (CID 86064407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).