methyl 2-[(2,5-difluorophenyl)methylamino]acetate

C10H11F2NO2 — CID 43312522

IUPACmethyl 2-[(2,5-difluorophenyl)methylamino]acetate
SMILESCOC(=O)CNCc1cc(F)ccc1F
InChIInChI=1S/C10H11F2NO2/c1-15-10(14)6-13-5-7-4-8(11)2-3-9(7)12/h2-4,13H,5-6H2,1H3
InChIKeyNXATWLPUTWOWPE-UHFFFAOYSA-N
MW215.20 g/mol
LogP1.23
Rot. Bonds4

About methyl 2-[(2,5-difluorophenyl)methylamino]acetate

methyl 2-[(2,5-difluorophenyl)methylamino]acetate (PubChem CID 43312522) has the molecular formula C10H11F2NO2 and a molecular weight of 215.20 g/mol. Its IUPAC name is methyl 2-[(2,5-difluorophenyl)methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2,5-difluorophenyl)methylamino]acetate
PubChem CID43312522
Molecular FormulaC10H11F2NO2
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Namemethyl 2-[(2,5-difluorophenyl)methylamino]acetate
SMILESCOC(=O)CNCc1cc(F)ccc1F
InChIInChI=1S/C10H11F2NO2/c1-15-10(14)6-13-5-7-4-8(11)2-3-9(7)12/h2-4,13H,5-6H2,1H3
InChIKeyNXATWLPUTWOWPE-UHFFFAOYSA-N
XLogP1.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(2-chloro-4-fluorophenyl)methylamino]acetate
CID 28567058
methyl 3-[(2,5-difluorophenyl)methylamino]-3-oxopropanoate
CID 115174318
[(2,5-difluorophenyl)methylamino]methanol
CID 115228968
N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43163700
2-[(2,5-difluorophenyl)methylamino]-N-(3-methoxypropyl)acetamide
CID 55234926
ethyl 2-[(5-fluoro-2-methoxyphenyl)methylamino]acetate
CID 115257355
methyl 2-(2,5-difluoroanilino)acetate
CID 28574625
2-[(2,5-difluorophenyl)methylamino]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 95126403
methyl 3-amino-4-(2,5-difluorophenyl)butanoate
CID 72978585
3-[(2,5-difluorophenyl)methylamino]-2-(methylamino)propanoic acid
CID 115256098
(2,5-difluorophenyl)methylcarbamic acid
CID 21076562
methyl 5-[[(2,5-difluorophenyl)methylamino]methyl]-2-methylfuran-3-carboxylate
CID 63794276

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,5-difluorophenyl)methylamino]acetate?
The IUPAC name of methyl 2-[(2,5-difluorophenyl)methylamino]acetate (CID 43312522) is methyl 2-[(2,5-difluorophenyl)methylamino]acetate.
What is the SMILES notation for methyl 2-[(2,5-difluorophenyl)methylamino]acetate?
The canonical SMILES for methyl 2-[(2,5-difluorophenyl)methylamino]acetate is COC(=O)CNCc1cc(F)ccc1F.
What is the InChIKey of methyl 2-[(2,5-difluorophenyl)methylamino]acetate?
The InChIKey is NXATWLPUTWOWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO2/c1-15-10(14)6-13-5-7-4-8(11)2-3-9(7)12/h2-4,13H,5-6H2,1H3.
What are the key properties of methyl 2-[(2,5-difluorophenyl)methylamino]acetate?
methyl 2-[(2,5-difluorophenyl)methylamino]acetate has a molecular weight of 215.20 g/mol, XLogP of 1.23, 4 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)methylamino]acetate is sourced from PubChem (CID 43312522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).