2-amino-1-(2-bromo-3,6-difluorophenyl)ethanone;hydrochloride

C8H7BrClF2NO — CID 122361145

IUPAC2-amino-1-(2-bromo-3,6-difluorophenyl)ethanone;hydrochloride
SMILESCl.NCC(=O)c1c(F)ccc(F)c1Br
InChIInChI=1S/C8H6BrF2NO.ClH/c9-8-5(11)2-1-4(10)7(8)6(13)3-12;/h1-2H,3,12H2;1H
InChIKeyJCNOSSRJWRSJCM-UHFFFAOYSA-N
MW286.50 g/mol
LogP2.29
Rot. Bonds2

About 2-amino-1-(2-bromo-3,6-difluorophenyl)ethanone;hydrochloride

2-amino-1-(2-bromo-3,6-difluorophenyl)ethanone;hydrochloride (PubChem CID 122361145) has the molecular formula C8H7BrClF2NO and a molecular weight of 286.50 g/mol. Its IUPAC name is 2-amino-1-(2-bromo-3,6-difluorophenyl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(2-bromo-3,6-difluorophenyl)ethanone;hydrochloride
PubChem CID122361145
Molecular FormulaC8H7BrClF2NO
Molecular Weight286.50 g/mol
Exact Mass284.94
IUPAC Name2-amino-1-(2-bromo-3,6-difluorophenyl)ethanone;hydrochloride
SMILESCl.NCC(=O)c1c(F)ccc(F)c1Br
InChIInChI=1S/C8H6BrF2NO.ClH/c9-8-5(11)2-1-4(10)7(8)6(13)3-12;/h1-2H,3,12H2;1H
InChIKeyJCNOSSRJWRSJCM-UHFFFAOYSA-N
XLogP2.29
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.50
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-1-(3,6-difluoro-2-hydroxyphenyl)ethanone
CID 117280590
2-amino-1-(3-bromo-2-chloro-6-fluorophenyl)ethanone;hydrochloride
CID 122361063
2-amino-1-(2,6-difluorophenyl)ethanone;hydrochloride
CID 44717362
2-amino-1-(2-bromo-6-fluorophenyl)ethanone
CID 84695252
2-bromo-1-(2-bromo-6-fluoro-3-hydroxyphenyl)ethanone
CID 130981592
2-amino-1-(2-chloro-6-fluorophenyl)ethanone
CID 65179390
2-amino-1-(5-fluoro-1-benzofuran-4-yl)ethanone
CID 117283381
2-bromo-1-(2-bromo-3-chloro-6-fluorophenyl)ethanone
CID 122235406
2-amino-1-(4-bromo-6-fluoro-1,3-benzodioxol-5-yl)ethanone
CID 117441527
2-bromo-6-chloro-3-fluorobenzamide
CID 131617846
1-(2-amino-3-bromo-4-fluorophenyl)-2-bromoethanone
CID 171016538
2-bromo-1-(3-bromo-2,4-difluorophenyl)ethanone
CID 122237020

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-bromo-3,6-difluorophenyl)ethanone;hydrochloride?
The IUPAC name of 2-amino-1-(2-bromo-3,6-difluorophenyl)ethanone;hydrochloride (CID 122361145) is 2-amino-1-(2-bromo-3,6-difluorophenyl)ethanone;hydrochloride.
What is the SMILES notation for 2-amino-1-(2-bromo-3,6-difluorophenyl)ethanone;hydrochloride?
The canonical SMILES for 2-amino-1-(2-bromo-3,6-difluorophenyl)ethanone;hydrochloride is Cl.NCC(=O)c1c(F)ccc(F)c1Br.
What is the InChIKey of 2-amino-1-(2-bromo-3,6-difluorophenyl)ethanone;hydrochloride?
The InChIKey is JCNOSSRJWRSJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF2NO.ClH/c9-8-5(11)2-1-4(10)7(8)6(13)3-12;/h1-2H,3,12H2;1H.
What are the key properties of 2-amino-1-(2-bromo-3,6-difluorophenyl)ethanone;hydrochloride?
2-amino-1-(2-bromo-3,6-difluorophenyl)ethanone;hydrochloride has a molecular weight of 286.50 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-bromo-3,6-difluorophenyl)ethanone;hydrochloride is sourced from PubChem (CID 122361145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).