methyl 2-amino-2-(2,5-difluorophenyl)propanoate;hydrochloride

C10H12ClF2NO2 — CID 47003383

IUPACmethyl 2-amino-2-(2,5-difluorophenyl)propanoate;hydrochloride
SMILESCOC(=O)C(C)(N)c1cc(F)ccc1F.Cl
InChIInChI=1S/C10H11F2NO2.ClH/c1-10(13,9(14)15-2)7-5-6(11)3-4-8(7)12;/h3-5H,13H2,1-2H3;1H
InChIKeyGHRPYMYPSPGXOQ-UHFFFAOYSA-N
MW251.66 g/mol
LogP1.73
Rot. Bonds2

About methyl 2-amino-2-(2,5-difluorophenyl)propanoate;hydrochloride

methyl 2-amino-2-(2,5-difluorophenyl)propanoate;hydrochloride (PubChem CID 47003383) has the molecular formula C10H12ClF2NO2 and a molecular weight of 251.66 g/mol. Its IUPAC name is methyl 2-amino-2-(2,5-difluorophenyl)propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-amino-2-(2,5-difluorophenyl)propanoate;hydrochloride
PubChem CID47003383
Molecular FormulaC10H12ClF2NO2
Molecular Weight251.66 g/mol
Exact Mass251.05
IUPAC Namemethyl 2-amino-2-(2,5-difluorophenyl)propanoate;hydrochloride
SMILESCOC(=O)C(C)(N)c1cc(F)ccc1F.Cl
InChIInChI=1S/C10H11F2NO2.ClH/c1-10(13,9(14)15-2)7-5-6(11)3-4-8(7)12;/h3-5H,13H2,1-2H3;1H
InChIKeyGHRPYMYPSPGXOQ-UHFFFAOYSA-N
XLogP1.73
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.66
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-(2,5-difluorophenyl)propanoate;hydrochloride?
The IUPAC name of methyl 2-amino-2-(2,5-difluorophenyl)propanoate;hydrochloride (CID 47003383) is methyl 2-amino-2-(2,5-difluorophenyl)propanoate;hydrochloride.
What is the SMILES notation for methyl 2-amino-2-(2,5-difluorophenyl)propanoate;hydrochloride?
The canonical SMILES for methyl 2-amino-2-(2,5-difluorophenyl)propanoate;hydrochloride is COC(=O)C(C)(N)c1cc(F)ccc1F.Cl.
What is the InChIKey of methyl 2-amino-2-(2,5-difluorophenyl)propanoate;hydrochloride?
The InChIKey is GHRPYMYPSPGXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO2.ClH/c1-10(13,9(14)15-2)7-5-6(11)3-4-8(7)12;/h3-5H,13H2,1-2H3;1H.
What are the key properties of methyl 2-amino-2-(2,5-difluorophenyl)propanoate;hydrochloride?
methyl 2-amino-2-(2,5-difluorophenyl)propanoate;hydrochloride has a molecular weight of 251.66 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-(2,5-difluorophenyl)propanoate;hydrochloride is sourced from PubChem (CID 47003383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).