methyl (2R)-2-amino-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]acetate;hydrochloride

C11H12ClF4NO3 — CID 171228220

IUPACmethyl (2R)-2-amino-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]acetate;hydrochloride
SMILESCOC(=O)[C@H](N)c1cccc(OC(F)(F)C(F)F)c1.Cl
InChIInChI=1S/C11H11F4NO3.ClH/c1-18-9(17)8(16)6-3-2-4-7(5-6)19-11(14,15)10(12)13;/h2-5,8,10H,16H2,1H3;1H/t8-;/m1./s1
InChIKeyAZBQQQFSSANDTB-DDWIOCJRSA-N
MW317.67 g/mol
LogP2.52
Rot. Bonds5

About methyl (2R)-2-amino-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]acetate;hydrochloride

methyl (2R)-2-amino-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]acetate;hydrochloride (PubChem CID 171228220) has the molecular formula C11H12ClF4NO3 and a molecular weight of 317.67 g/mol. Its IUPAC name is methyl (2R)-2-amino-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]acetate;hydrochloride.

Molecular Properties

Compound Namemethyl (2R)-2-amino-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]acetate;hydrochloride
PubChem CID171228220
Molecular FormulaC11H12ClF4NO3
Molecular Weight317.67 g/mol
Exact Mass317.04
IUPAC Namemethyl (2R)-2-amino-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]acetate;hydrochloride
SMILESCOC(=O)[C@H](N)c1cccc(OC(F)(F)C(F)F)c1.Cl
InChIInChI=1S/C11H11F4NO3.ClH/c1-18-9(17)8(16)6-3-2-4-7(5-6)19-11(14,15)10(12)13;/h2-5,8,10H,16H2,1H3;1H/t8-;/m1./s1
InChIKeyAZBQQQFSSANDTB-DDWIOCJRSA-N
XLogP2.52
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.67
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-2-amino-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]acetate
CID 171208633
methyl (2R)-2-amino-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]acetate
CID 171228282
methyl (2R)-2-amino-2-(3-methoxyphenyl)acetate;hydrochloride
CID 171219744
methyl (2S)-2-amino-2-(3-ethoxyphenyl)acetate;hydrochloride
CID 171205678
1-amino-1-[3-(trifluoromethoxy)phenyl]propan-2-one
CID 138110122
(1S)-2-fluoro-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine;hydrochloride
CID 171208580
(1R)-2,2,3,3,3-pentafluoro-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-amine;hydrochloride
CID 171312484
methyl 2-amino-2-(3-ethoxyphenyl)acetate
CID 60874468
methyl 2-amino-2-(3-methylphenyl)acetate;hydrochloride
CID 50944342
2-amino-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 107104709
methyl (2R)-2-amino-2-(3-phenylphenyl)acetate;hydrochloride
CID 171234245
(1S)-3,3,3-trifluoro-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-amine
CID 171228193

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]acetate;hydrochloride?
The IUPAC name of methyl (2R)-2-amino-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]acetate;hydrochloride (CID 171228220) is methyl (2R)-2-amino-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]acetate;hydrochloride.
What is the SMILES notation for methyl (2R)-2-amino-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]acetate;hydrochloride?
The canonical SMILES for methyl (2R)-2-amino-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]acetate;hydrochloride is COC(=O)[C@H](N)c1cccc(OC(F)(F)C(F)F)c1.Cl.
What is the InChIKey of methyl (2R)-2-amino-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]acetate;hydrochloride?
The InChIKey is AZBQQQFSSANDTB-DDWIOCJRSA-N. The full InChI is InChI=1S/C11H11F4NO3.ClH/c1-18-9(17)8(16)6-3-2-4-7(5-6)19-11(14,15)10(12)13;/h2-5,8,10H,16H2,1H3;1H/t8-;/m1./s1.
What are the key properties of methyl (2R)-2-amino-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]acetate;hydrochloride?
methyl (2R)-2-amino-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]acetate;hydrochloride has a molecular weight of 317.67 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]acetate;hydrochloride is sourced from PubChem (CID 171228220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).