methyl (2R)-2-amino-2-(4-bromo-2,6-difluorophenyl)acetate;hydrochloride

C9H9BrClF2NO2 — CID 171226301

IUPACmethyl (2R)-2-amino-2-(4-bromo-2,6-difluorophenyl)acetate;hydrochloride
SMILESCOC(=O)[C@H](N)c1c(F)cc(Br)cc1F.Cl
InChIInChI=1S/C9H8BrF2NO2.ClH/c1-15-9(14)8(13)7-5(11)2-4(10)3-6(7)12;/h2-3,8H,13H2,1H3;1H/t8-;/m1./s1
InChIKeyLNRGETWOBAPCEB-DDWIOCJRSA-N
MW316.53 g/mol
LogP2.32
Rot. Bonds2

About methyl (2R)-2-amino-2-(4-bromo-2,6-difluorophenyl)acetate;hydrochloride

methyl (2R)-2-amino-2-(4-bromo-2,6-difluorophenyl)acetate;hydrochloride (PubChem CID 171226301) has the molecular formula C9H9BrClF2NO2 and a molecular weight of 316.53 g/mol. Its IUPAC name is methyl (2R)-2-amino-2-(4-bromo-2,6-difluorophenyl)acetate;hydrochloride.

Molecular Properties

Compound Namemethyl (2R)-2-amino-2-(4-bromo-2,6-difluorophenyl)acetate;hydrochloride
PubChem CID171226301
Molecular FormulaC9H9BrClF2NO2
Molecular Weight316.53 g/mol
Exact Mass314.95
IUPAC Namemethyl (2R)-2-amino-2-(4-bromo-2,6-difluorophenyl)acetate;hydrochloride
SMILESCOC(=O)[C@H](N)c1c(F)cc(Br)cc1F.Cl
InChIInChI=1S/C9H8BrF2NO2.ClH/c1-15-9(14)8(13)7-5(11)2-4(10)3-6(7)12;/h2-3,8H,13H2,1H3;1H/t8-;/m1./s1
InChIKeyLNRGETWOBAPCEB-DDWIOCJRSA-N
XLogP2.32
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.53
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-amino-2-(5-bromo-3-fluoro-2-hydroxyphenyl)acetate;hydrochloride
CID 171256718
methyl (2R)-2-amino-2-(5-bromo-3-fluoro-2-hydroxyphenyl)acetate
CID 131264522
methyl (2R)-2-amino-2-(2,3,5,6-tetrafluorophenyl)acetate;hydrochloride
CID 171230098
methyl (2S)-2-amino-2-(2,4-dibromo-6-hydroxyphenyl)acetate;hydrochloride
CID 171256212
methyl 2-amino-2-(2,3,5,6-tetrafluorophenyl)acetate
CID 130143027
methyl (3R)-3-amino-3-(4-bromo-2,6-difluorophenyl)propanoate
CID 171248588
methyl (2R)-2-amino-2-(5-bromo-2-fluorophenyl)acetate;hydrochloride
CID 171220169
methyl 2-(4-bromo-2,6-difluorophenoxy)propanoate
CID 175054822
methyl 2-(4-bromo-2,6-difluoroanilino)propanoate
CID 65469192
methyl (2R)-2-(4-bromo-2,6-difluorophenoxy)propanoate
CID 131748200
ethyl (3S)-3-amino-3-(4-bromo-2,6-difluorophenyl)propanoate;hydrochloride
CID 171226304
methyl (2R)-2-amino-2-[3-bromo-5-(trifluoromethyl)phenyl]acetate;hydrochloride
CID 171226749

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-2-(4-bromo-2,6-difluorophenyl)acetate;hydrochloride?
The IUPAC name of methyl (2R)-2-amino-2-(4-bromo-2,6-difluorophenyl)acetate;hydrochloride (CID 171226301) is methyl (2R)-2-amino-2-(4-bromo-2,6-difluorophenyl)acetate;hydrochloride.
What is the SMILES notation for methyl (2R)-2-amino-2-(4-bromo-2,6-difluorophenyl)acetate;hydrochloride?
The canonical SMILES for methyl (2R)-2-amino-2-(4-bromo-2,6-difluorophenyl)acetate;hydrochloride is COC(=O)[C@H](N)c1c(F)cc(Br)cc1F.Cl.
What is the InChIKey of methyl (2R)-2-amino-2-(4-bromo-2,6-difluorophenyl)acetate;hydrochloride?
The InChIKey is LNRGETWOBAPCEB-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H8BrF2NO2.ClH/c1-15-9(14)8(13)7-5(11)2-4(10)3-6(7)12;/h2-3,8H,13H2,1H3;1H/t8-;/m1./s1.
What are the key properties of methyl (2R)-2-amino-2-(4-bromo-2,6-difluorophenyl)acetate;hydrochloride?
methyl (2R)-2-amino-2-(4-bromo-2,6-difluorophenyl)acetate;hydrochloride has a molecular weight of 316.53 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-2-(4-bromo-2,6-difluorophenyl)acetate;hydrochloride is sourced from PubChem (CID 171226301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).