methyl 2-[(2,6-difluorophenyl)methyl-methylamino]acetate

C11H13F2NO2 — CID 115880448

IUPACmethyl 2-[(2,6-difluorophenyl)methyl-methylamino]acetate
SMILESCOC(=O)CN(C)Cc1c(F)cccc1F
InChIInChI=1S/C11H13F2NO2/c1-14(7-11(15)16-2)6-8-9(12)4-3-5-10(8)13/h3-5H,6-7H2,1-2H3
InChIKeyYAISZHLPOHZUQY-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.57
Rot. Bonds4

About methyl 2-[(2,6-difluorophenyl)methyl-methylamino]acetate

methyl 2-[(2,6-difluorophenyl)methyl-methylamino]acetate (PubChem CID 115880448) has the molecular formula C11H13F2NO2 and a molecular weight of 229.23 g/mol. Its IUPAC name is methyl 2-[(2,6-difluorophenyl)methyl-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2,6-difluorophenyl)methyl-methylamino]acetate
PubChem CID115880448
Molecular FormulaC11H13F2NO2
Molecular Weight229.23 g/mol
Exact Mass229.09
IUPAC Namemethyl 2-[(2,6-difluorophenyl)methyl-methylamino]acetate
SMILESCOC(=O)CN(C)Cc1c(F)cccc1F
InChIInChI=1S/C11H13F2NO2/c1-14(7-11(15)16-2)6-8-9(12)4-3-5-10(8)13/h3-5H,6-7H2,1-2H3
InChIKeyYAISZHLPOHZUQY-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-[(3,4-difluorophenyl)methyl-methylamino]acetate
CID 78912327
methyl 2-[(2,6-difluorophenyl)methyl-methylamino]benzoate
CID 114933153
methyl 2-[(4-fluoro-3-methylphenyl)methyl-methylamino]acetate
CID 115232926
methyl 2-[(6-methoxy-2-pyridinyl)methyl-methylamino]acetate
CID 63984543
N'-[(2,6-difluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 62682578
N-[(2,6-difluorophenyl)methyl]-N-methylacetamide
CID 166206862
methyl 2-[(3-bromo-4-fluorophenyl)methyl-methylamino]acetate
CID 61067990
methyl 2-[(4-bromo-2-fluorophenyl)methyl-methylamino]acetate
CID 60670448
methyl 2-[(2-fluoro-3-nitrophenyl)methyl-methylamino]acetate
CID 107350578
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 2699425
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(propan-2-ylcarbamoyl)acetamide
CID 9197045
methyl 2-[methyl(1,2-oxazol-5-ylmethyl)amino]acetate
CID 60670473

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,6-difluorophenyl)methyl-methylamino]acetate?
The IUPAC name of methyl 2-[(2,6-difluorophenyl)methyl-methylamino]acetate (CID 115880448) is methyl 2-[(2,6-difluorophenyl)methyl-methylamino]acetate.
What is the SMILES notation for methyl 2-[(2,6-difluorophenyl)methyl-methylamino]acetate?
The canonical SMILES for methyl 2-[(2,6-difluorophenyl)methyl-methylamino]acetate is COC(=O)CN(C)Cc1c(F)cccc1F.
What is the InChIKey of methyl 2-[(2,6-difluorophenyl)methyl-methylamino]acetate?
The InChIKey is YAISZHLPOHZUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO2/c1-14(7-11(15)16-2)6-8-9(12)4-3-5-10(8)13/h3-5H,6-7H2,1-2H3.
What are the key properties of methyl 2-[(2,6-difluorophenyl)methyl-methylamino]acetate?
methyl 2-[(2,6-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-[(2,6-difluorophenyl)methyl-methylamino]acetate is sourced from PubChem (CID 115880448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).