methyl 2-[(3,4-difluorophenyl)methyl-methylamino]acetate

C11H13F2NO2 — CID 78912327

IUPACmethyl 2-[(3,4-difluorophenyl)methyl-methylamino]acetate
SMILESCOC(=O)CN(C)Cc1ccc(F)c(F)c1
InChIInChI=1S/C11H13F2NO2/c1-14(7-11(15)16-2)6-8-3-4-9(12)10(13)5-8/h3-5H,6-7H2,1-2H3
InChIKeyYQBATEBNBXQXRJ-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.57
Rot. Bonds4

About methyl 2-[(3,4-difluorophenyl)methyl-methylamino]acetate

methyl 2-[(3,4-difluorophenyl)methyl-methylamino]acetate (PubChem CID 78912327) has the molecular formula C11H13F2NO2 and a molecular weight of 229.23 g/mol. Its IUPAC name is methyl 2-[(3,4-difluorophenyl)methyl-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(3,4-difluorophenyl)methyl-methylamino]acetate
PubChem CID78912327
Molecular FormulaC11H13F2NO2
Molecular Weight229.23 g/mol
Exact Mass229.09
IUPAC Namemethyl 2-[(3,4-difluorophenyl)methyl-methylamino]acetate
SMILESCOC(=O)CN(C)Cc1ccc(F)c(F)c1
InChIInChI=1S/C11H13F2NO2/c1-14(7-11(15)16-2)6-8-3-4-9(12)10(13)5-8/h3-5H,6-7H2,1-2H3
InChIKeyYQBATEBNBXQXRJ-UHFFFAOYSA-N
XLogP1.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(4-fluoro-3-methylphenyl)methyl-methylamino]acetate
CID 115232926
methyl 2-[(3-bromo-4-fluorophenyl)methyl-methylamino]acetate
CID 61067990
methyl 3-[2-(3,4-difluorophenyl)ethyl-methylamino]propanoate
CID 115232572
methyl 2-[(3,4-dichlorophenyl)methyl-methylamino]acetate
CID 60670410
methyl 2-[3-(3,4-difluorophenyl)propanoyl-methylamino]acetate
CID 43431151
ethyl 3-[(3,4-difluorophenyl)methyl-methylamino]propanoate
CID 113221274
2-[(3,4-difluorophenyl)methyl-methylamino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 30796172
methyl 2-[(4-tert-butylphenyl)methyl-methylamino]acetate
CID 60670466
methyl 2-[(2,6-difluorophenyl)methyl-methylamino]acetate
CID 115880448
methyl 4-[[(2-methoxy-2-oxoethyl)-methylamino]methyl]benzoate
CID 55025135
methyl 2-[(3,5-dimethylphenyl)methyl-methylamino]acetate
CID 60670382
methyl 5-(3,4-difluorophenyl)-4-oxopentanoate
CID 63899481

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3,4-difluorophenyl)methyl-methylamino]acetate?
The IUPAC name of methyl 2-[(3,4-difluorophenyl)methyl-methylamino]acetate (CID 78912327) is methyl 2-[(3,4-difluorophenyl)methyl-methylamino]acetate.
What is the SMILES notation for methyl 2-[(3,4-difluorophenyl)methyl-methylamino]acetate?
The canonical SMILES for methyl 2-[(3,4-difluorophenyl)methyl-methylamino]acetate is COC(=O)CN(C)Cc1ccc(F)c(F)c1.
What is the InChIKey of methyl 2-[(3,4-difluorophenyl)methyl-methylamino]acetate?
The InChIKey is YQBATEBNBXQXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO2/c1-14(7-11(15)16-2)6-8-3-4-9(12)10(13)5-8/h3-5H,6-7H2,1-2H3.
What are the key properties of methyl 2-[(3,4-difluorophenyl)methyl-methylamino]acetate?
methyl 2-[(3,4-difluorophenyl)methyl-methylamino]acetate has a molecular weight of 229.23 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3,4-difluorophenyl)methyl-methylamino]acetate is sourced from PubChem (CID 78912327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).