methyl 2-(3,4-difluorophenyl)-2-(ethylamino)acetate

C11H13F2NO2 — CID 60787024

IUPACmethyl 2-(3,4-difluorophenyl)-2-(ethylamino)acetate
SMILESCCNC(C(=O)OC)c1ccc(F)c(F)c1
InChIInChI=1S/C11H13F2NO2/c1-3-14-10(11(15)16-2)7-4-5-8(12)9(13)6-7/h4-6,10,14H,3H2,1-2H3
InChIKeyFOIBVXMKBSYNOK-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.79
Rot. Bonds4

About methyl 2-(3,4-difluorophenyl)-2-(ethylamino)acetate

methyl 2-(3,4-difluorophenyl)-2-(ethylamino)acetate (PubChem CID 60787024) has the molecular formula C11H13F2NO2 and a molecular weight of 229.23 g/mol. Its IUPAC name is methyl 2-(3,4-difluorophenyl)-2-(ethylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(3,4-difluorophenyl)-2-(ethylamino)acetate
PubChem CID60787024
Molecular FormulaC11H13F2NO2
Molecular Weight229.23 g/mol
Exact Mass229.09
IUPAC Namemethyl 2-(3,4-difluorophenyl)-2-(ethylamino)acetate
SMILESCCNC(C(=O)OC)c1ccc(F)c(F)c1
InChIInChI=1S/C11H13F2NO2/c1-3-14-10(11(15)16-2)7-4-5-8(12)9(13)6-7/h4-6,10,14H,3H2,1-2H3
InChIKeyFOIBVXMKBSYNOK-UHFFFAOYSA-N
XLogP1.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(3,4-difluorophenyl)-2-(prop-2-ynylamino)acetate
CID 62355526
methyl 2-(3,4-difluorophenyl)-2-(2,2,2-trifluoroethylamino)acetate
CID 54893180
methyl 2-(cyclopropylmethylamino)-2-(3,4-difluorophenyl)acetate
CID 54894261
ethyl (2S)-2-(3,4-difluorophenyl)-2-(methylamino)acetate
CID 51888823
methyl 2-(3,4-dimethoxyphenyl)-2-(ethylamino)acetate
CID 60788044
ethyl 2-(ethylamino)-2-(3,4,5-trifluorophenyl)acetate
CID 55147745
methyl (2R,3S)-3-amino-3-(3,4-difluorophenyl)-2-hydroxypropanoate
CID 57167178
ethyl 2-(4-fluoro-3-methylphenyl)-2-(propylamino)acetate
CID 62121338
methyl 2-(4-chloro-3-fluorophenyl)-2-(2-methoxyethylamino)acetate
CID 62540494
ethyl (2R)-2-(3,4-difluorophenyl)-2-hydroxyacetate
CID 94365189
methyl 3-(3,4-difluorophenyl)-2,3-dihydroxypropanoate
CID 171863651
methyl 2-(ethylamino)-2-(2-methylquinolin-6-yl)acetate
CID 105378902

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,4-difluorophenyl)-2-(ethylamino)acetate?
The IUPAC name of methyl 2-(3,4-difluorophenyl)-2-(ethylamino)acetate (CID 60787024) is methyl 2-(3,4-difluorophenyl)-2-(ethylamino)acetate.
What is the SMILES notation for methyl 2-(3,4-difluorophenyl)-2-(ethylamino)acetate?
The canonical SMILES for methyl 2-(3,4-difluorophenyl)-2-(ethylamino)acetate is CCNC(C(=O)OC)c1ccc(F)c(F)c1.
What is the InChIKey of methyl 2-(3,4-difluorophenyl)-2-(ethylamino)acetate?
The InChIKey is FOIBVXMKBSYNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO2/c1-3-14-10(11(15)16-2)7-4-5-8(12)9(13)6-7/h4-6,10,14H,3H2,1-2H3.
What are the key properties of methyl 2-(3,4-difluorophenyl)-2-(ethylamino)acetate?
methyl 2-(3,4-difluorophenyl)-2-(ethylamino)acetate has a molecular weight of 229.23 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,4-difluorophenyl)-2-(ethylamino)acetate is sourced from PubChem (CID 60787024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).