ethyl 2-[2-amino-5-(difluoromethoxy)-3-methylphenyl]acetate

C12H15F2NO3 — CID 171011845

IUPACethyl 2-[2-amino-5-(difluoromethoxy)-3-methylphenyl]acetate
SMILESCCOC(=O)Cc1cc(OC(F)F)cc(C)c1N
InChIInChI=1S/C12H15F2NO3/c1-3-17-10(16)6-8-5-9(18-12(13)14)4-7(2)11(8)15/h4-5,12H,3,6,15H2,1-2H3
InChIKeyZEGVOPGKBFIODL-UHFFFAOYSA-N
MW259.25 g/mol
LogP2.28
Rot. Bonds5

About ethyl 2-[2-amino-5-(difluoromethoxy)-3-methylphenyl]acetate

ethyl 2-[2-amino-5-(difluoromethoxy)-3-methylphenyl]acetate (PubChem CID 171011845) has the molecular formula C12H15F2NO3 and a molecular weight of 259.25 g/mol. Its IUPAC name is ethyl 2-[2-amino-5-(difluoromethoxy)-3-methylphenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-amino-5-(difluoromethoxy)-3-methylphenyl]acetate
PubChem CID171011845
Molecular FormulaC12H15F2NO3
Molecular Weight259.25 g/mol
Exact Mass259.10
IUPAC Nameethyl 2-[2-amino-5-(difluoromethoxy)-3-methylphenyl]acetate
SMILESCCOC(=O)Cc1cc(OC(F)F)cc(C)c1N
InChIInChI=1S/C12H15F2NO3/c1-3-17-10(16)6-8-5-9(18-12(13)14)4-7(2)11(8)15/h4-5,12H,3,6,15H2,1-2H3
InChIKeyZEGVOPGKBFIODL-UHFFFAOYSA-N
XLogP2.28
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.25
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[2-(bromomethyl)-4-(difluoromethoxy)-6-methylphenyl]acetate
CID 171016120
ethyl 2-[2-cyano-5-(difluoromethoxy)-3-(hydroxymethyl)phenyl]acetate
CID 134654550
ethyl 2-[5-(difluoromethoxy)-2-(trifluoromethoxy)phenyl]acetate
CID 170997918
4-(difluoromethoxy)-2,6-dimethylaniline;hydrochloride
CID 117071645
ethyl 2-[2-chloro-3-cyano-5-(difluoromethoxy)phenyl]acetate
CID 134653060
ethyl 2-[3-(chloromethyl)-5-(difluoromethoxy)-2-nitrophenyl]acetate
CID 171019309
ethyl 2-[2-cyano-5-(difluoromethoxy)-3-(trifluoromethylsulfanyl)phenyl]acetate
CID 134653764
ethyl 2-(4-amino-3-ethyl-5-methylphenoxy)acetate
CID 168944648
ethyl 2-[2-chloro-4-(difluoromethoxy)-6-fluorophenyl]acetate
CID 171005078
ethyl 2-[2-amino-3-(difluoromethoxy)-6-methylphenyl]acetate
CID 171011575
ethyl 3-[3-(difluoromethoxy)-5-(trifluoromethoxy)phenyl]propanoate
CID 134632502
ethyl 2-[5-amino-2-bromo-4-(difluoromethoxy)phenyl]acetate
CID 171019228

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-amino-5-(difluoromethoxy)-3-methylphenyl]acetate?
The IUPAC name of ethyl 2-[2-amino-5-(difluoromethoxy)-3-methylphenyl]acetate (CID 171011845) is ethyl 2-[2-amino-5-(difluoromethoxy)-3-methylphenyl]acetate.
What is the SMILES notation for ethyl 2-[2-amino-5-(difluoromethoxy)-3-methylphenyl]acetate?
The canonical SMILES for ethyl 2-[2-amino-5-(difluoromethoxy)-3-methylphenyl]acetate is CCOC(=O)Cc1cc(OC(F)F)cc(C)c1N.
What is the InChIKey of ethyl 2-[2-amino-5-(difluoromethoxy)-3-methylphenyl]acetate?
The InChIKey is ZEGVOPGKBFIODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO3/c1-3-17-10(16)6-8-5-9(18-12(13)14)4-7(2)11(8)15/h4-5,12H,3,6,15H2,1-2H3.
What are the key properties of ethyl 2-[2-amino-5-(difluoromethoxy)-3-methylphenyl]acetate?
ethyl 2-[2-amino-5-(difluoromethoxy)-3-methylphenyl]acetate has a molecular weight of 259.25 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-amino-5-(difluoromethoxy)-3-methylphenyl]acetate is sourced from PubChem (CID 171011845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).