methyl 2-(2,5-difluorophenyl)-2-(methylamino)acetate;hydrochloride

C10H12ClF2NO2 — CID 47003282

IUPACmethyl 2-(2,5-difluorophenyl)-2-(methylamino)acetate;hydrochloride
SMILESCNC(C(=O)OC)c1cc(F)ccc1F.Cl
InChIInChI=1S/C10H11F2NO2.ClH/c1-13-9(10(14)15-2)7-5-6(11)3-4-8(7)12;/h3-5,9,13H,1-2H3;1H
InChIKeyPJBXFOYSCWPQAQ-UHFFFAOYSA-N
MW251.66 g/mol
LogP1.82
Rot. Bonds3

About methyl 2-(2,5-difluorophenyl)-2-(methylamino)acetate;hydrochloride

methyl 2-(2,5-difluorophenyl)-2-(methylamino)acetate;hydrochloride (PubChem CID 47003282) has the molecular formula C10H12ClF2NO2 and a molecular weight of 251.66 g/mol. Its IUPAC name is methyl 2-(2,5-difluorophenyl)-2-(methylamino)acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-(2,5-difluorophenyl)-2-(methylamino)acetate;hydrochloride
PubChem CID47003282
Molecular FormulaC10H12ClF2NO2
Molecular Weight251.66 g/mol
Exact Mass251.05
IUPAC Namemethyl 2-(2,5-difluorophenyl)-2-(methylamino)acetate;hydrochloride
SMILESCNC(C(=O)OC)c1cc(F)ccc1F.Cl
InChIInChI=1S/C10H11F2NO2.ClH/c1-13-9(10(14)15-2)7-5-6(11)3-4-8(7)12;/h3-5,9,13H,1-2H3;1H
InChIKeyPJBXFOYSCWPQAQ-UHFFFAOYSA-N
XLogP1.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.66
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,5-difluorophenyl)-2-(methylamino)acetate;hydrochloride?
The IUPAC name of methyl 2-(2,5-difluorophenyl)-2-(methylamino)acetate;hydrochloride (CID 47003282) is methyl 2-(2,5-difluorophenyl)-2-(methylamino)acetate;hydrochloride.
What is the SMILES notation for methyl 2-(2,5-difluorophenyl)-2-(methylamino)acetate;hydrochloride?
The canonical SMILES for methyl 2-(2,5-difluorophenyl)-2-(methylamino)acetate;hydrochloride is CNC(C(=O)OC)c1cc(F)ccc1F.Cl.
What is the InChIKey of methyl 2-(2,5-difluorophenyl)-2-(methylamino)acetate;hydrochloride?
The InChIKey is PJBXFOYSCWPQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO2.ClH/c1-13-9(10(14)15-2)7-5-6(11)3-4-8(7)12;/h3-5,9,13H,1-2H3;1H.
What are the key properties of methyl 2-(2,5-difluorophenyl)-2-(methylamino)acetate;hydrochloride?
methyl 2-(2,5-difluorophenyl)-2-(methylamino)acetate;hydrochloride has a molecular weight of 251.66 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,5-difluorophenyl)-2-(methylamino)acetate;hydrochloride is sourced from PubChem (CID 47003282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).