methyl (2R)-2-amino-2-(2-chloro-3,6-difluorophenyl)acetate

C9H8ClF2NO2 — CID 131624648

IUPACmethyl (2R)-2-amino-2-(2-chloro-3,6-difluorophenyl)acetate
SMILESCOC(=O)[C@H](N)c1c(F)ccc(F)c1Cl
InChIInChI=1S/C9H8ClF2NO2/c1-15-9(14)8(13)6-4(11)2-3-5(12)7(6)10/h2-3,8H,13H2,1H3/t8-/m1/s1
InChIKeyJQDSNXHXFMFHCR-MRVPVSSYSA-N
MW235.62 g/mol
LogP1.79
Rot. Bonds2

About methyl (2R)-2-amino-2-(2-chloro-3,6-difluorophenyl)acetate

methyl (2R)-2-amino-2-(2-chloro-3,6-difluorophenyl)acetate (PubChem CID 131624648) has the molecular formula C9H8ClF2NO2 and a molecular weight of 235.62 g/mol. Its IUPAC name is methyl (2R)-2-amino-2-(2-chloro-3,6-difluorophenyl)acetate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-2-(2-chloro-3,6-difluorophenyl)acetate
PubChem CID131624648
Molecular FormulaC9H8ClF2NO2
Molecular Weight235.62 g/mol
Exact Mass235.02
IUPAC Namemethyl (2R)-2-amino-2-(2-chloro-3,6-difluorophenyl)acetate
SMILESCOC(=O)[C@H](N)c1c(F)ccc(F)c1Cl
InChIInChI=1S/C9H8ClF2NO2/c1-15-9(14)8(13)6-4(11)2-3-5(12)7(6)10/h2-3,8H,13H2,1H3/t8-/m1/s1
InChIKeyJQDSNXHXFMFHCR-MRVPVSSYSA-N
XLogP1.79
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.62
LogP ≤ 51.79
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 (2S)-2-amino-2-(2-chloro-6-fluoro-3-methylphenyl)acetate;hydrochloride
CID 171209713
methyl (2R)-2-amino-2-(3-chloro-2,6-difluorophenyl)acetate;hydrochloride
CID 171228604
methyl (2S)-2-amino-2-(6-chloro-3-fluoro-2-hydroxyphenyl)acetate
CID 131423206
methyl (2S)-2-amino-2-(3,6-dichloro-2-fluorophenyl)acetate
CID 131503024
methyl 2-amino-2-(2,3,5,6-tetrafluorophenyl)acetate
CID 130143027
methyl (2S)-2-amino-2-(2-fluoro-6-methoxyphenyl)acetate;hydrochloride
CID 171210665
methyl (2S)-2-amino-2-(6-chloro-2-fluoro-3-methylphenyl)acetate;hydrochloride
CID 171209172
methyl 2-(2-chloro-6-fluoro-3-methylphenyl)propanoate
CID 175668376
methyl (2R)-2-amino-2-(2,3,5,6-tetrafluorophenyl)acetate;hydrochloride
CID 171230098
(2S)-2-amino-2-(2-chloro-6-fluoro-3-methylphenyl)acetic acid
CID 66512428
methyl (2S)-2-amino-2-(2,5-difluorophenyl)acetate
CID 51888842
methyl (2R)-2-amino-2-(4-bromo-2,6-difluorophenyl)acetate;hydrochloride
CID 171226301

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-2-(2-chloro-3,6-difluorophenyl)acetate?
The IUPAC name of methyl (2R)-2-amino-2-(2-chloro-3,6-difluorophenyl)acetate (CID 131624648) is methyl (2R)-2-amino-2-(2-chloro-3,6-difluorophenyl)acetate.
What is the SMILES notation for methyl (2R)-2-amino-2-(2-chloro-3,6-difluorophenyl)acetate?
The canonical SMILES for methyl (2R)-2-amino-2-(2-chloro-3,6-difluorophenyl)acetate is COC(=O)[C@H](N)c1c(F)ccc(F)c1Cl.
What is the InChIKey of methyl (2R)-2-amino-2-(2-chloro-3,6-difluorophenyl)acetate?
The InChIKey is JQDSNXHXFMFHCR-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H8ClF2NO2/c1-15-9(14)8(13)6-4(11)2-3-5(12)7(6)10/h2-3,8H,13H2,1H3/t8-/m1/s1.
What are the key properties of methyl (2R)-2-amino-2-(2-chloro-3,6-difluorophenyl)acetate?
methyl (2R)-2-amino-2-(2-chloro-3,6-difluorophenyl)acetate has a molecular weight of 235.62 g/mol, XLogP of 1.79, 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-chloro-3,6-difluorophenyl)acetate is sourced from PubChem (CID 131624648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).