methyl (2R)-2-amino-2-(2,3,5,6-tetrafluorophenyl)acetate;hydrochloride

C9H8ClF4NO2 — CID 171230098

IUPACmethyl (2R)-2-amino-2-(2,3,5,6-tetrafluorophenyl)acetate;hydrochloride
SMILESCOC(=O)[C@H](N)c1c(F)c(F)cc(F)c1F.Cl
InChIInChI=1S/C9H7F4NO2.ClH/c1-16-9(15)8(14)5-6(12)3(10)2-4(11)7(5)13;/h2,8H,14H2,1H3;1H/t8-;/m1./s1
InChIKeyOYRVEFHJWZQSGI-DDWIOCJRSA-N
MW273.61 g/mol
LogP1.84
Rot. Bonds2

About methyl (2R)-2-amino-2-(2,3,5,6-tetrafluorophenyl)acetate;hydrochloride

methyl (2R)-2-amino-2-(2,3,5,6-tetrafluorophenyl)acetate;hydrochloride (PubChem CID 171230098) has the molecular formula C9H8ClF4NO2 and a molecular weight of 273.61 g/mol. Its IUPAC name is methyl (2R)-2-amino-2-(2,3,5,6-tetrafluorophenyl)acetate;hydrochloride.

Molecular Properties

Compound Namemethyl (2R)-2-amino-2-(2,3,5,6-tetrafluorophenyl)acetate;hydrochloride
PubChem CID171230098
Molecular FormulaC9H8ClF4NO2
Molecular Weight273.61 g/mol
Exact Mass273.02
IUPAC Namemethyl (2R)-2-amino-2-(2,3,5,6-tetrafluorophenyl)acetate;hydrochloride
SMILESCOC(=O)[C@H](N)c1c(F)c(F)cc(F)c1F.Cl
InChIInChI=1S/C9H7F4NO2.ClH/c1-16-9(15)8(14)5-6(12)3(10)2-4(11)7(5)13;/h2,8H,14H2,1H3;1H/t8-;/m1./s1
InChIKeyOYRVEFHJWZQSGI-DDWIOCJRSA-N
XLogP1.84
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.61
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-amino-2-(2,3,5,6-tetrafluorophenyl)acetate
CID 130143027
methyl (2R)-2-amino-2-(4-bromo-2,6-difluorophenyl)acetate;hydrochloride
CID 171226301
methyl (2R)-2-amino-2-(2,3,5-trifluorophenyl)acetate;hydrochloride
CID 171224868
methyl (2R)-2-amino-2-(3-chloro-2,6-difluorophenyl)acetate;hydrochloride
CID 171228604
methyl (2R)-2-amino-2-(2,4,6-trihydroxyphenyl)acetate;hydrochloride
CID 171236695
methyl (2S)-2-amino-2-(3,6-dichloro-2-fluorophenyl)acetate
CID 131503024
methyl (2R)-2-amino-2-(2-chloro-3,6-difluorophenyl)acetate
CID 131624648
methyl (2S)-2-amino-2-(6-chloro-2-fluoro-3-methylphenyl)acetate;hydrochloride
CID 171209172
methyl (2S)-2-amino-2-(2-fluoro-6-methoxyphenyl)acetate;hydrochloride
CID 171210665
methyl (2S)-2-amino-2-(2-chloro-6-fluoro-3-methylphenyl)acetate;hydrochloride
CID 171209713
methyl 3,4-dihydroxy-4-(2,3,5,6-tetrafluorophenyl)butanoate
CID 171895845
methyl (3R)-3-amino-3-(2,3,4-trifluoro-6-hydroxyphenyl)propanoate;hydrochloride
CID 171257703

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-2-(2,3,5,6-tetrafluorophenyl)acetate;hydrochloride?
The IUPAC name of methyl (2R)-2-amino-2-(2,3,5,6-tetrafluorophenyl)acetate;hydrochloride (CID 171230098) is methyl (2R)-2-amino-2-(2,3,5,6-tetrafluorophenyl)acetate;hydrochloride.
What is the SMILES notation for methyl (2R)-2-amino-2-(2,3,5,6-tetrafluorophenyl)acetate;hydrochloride?
The canonical SMILES for methyl (2R)-2-amino-2-(2,3,5,6-tetrafluorophenyl)acetate;hydrochloride is COC(=O)[C@H](N)c1c(F)c(F)cc(F)c1F.Cl.
What is the InChIKey of methyl (2R)-2-amino-2-(2,3,5,6-tetrafluorophenyl)acetate;hydrochloride?
The InChIKey is OYRVEFHJWZQSGI-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H7F4NO2.ClH/c1-16-9(15)8(14)5-6(12)3(10)2-4(11)7(5)13;/h2,8H,14H2,1H3;1H/t8-;/m1./s1.
What are the key properties of methyl (2R)-2-amino-2-(2,3,5,6-tetrafluorophenyl)acetate;hydrochloride?
methyl (2R)-2-amino-2-(2,3,5,6-tetrafluorophenyl)acetate;hydrochloride has a molecular weight of 273.61 g/mol, XLogP of 1.84, 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-(2,3,5,6-tetrafluorophenyl)acetate;hydrochloride is sourced from PubChem (CID 171230098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).