ethyl 2-amino-2-[3-(difluoromethoxy)-4-methoxyphenyl]acetate

C12H15F2NO4 — CID 60795939

IUPACethyl 2-amino-2-[3-(difluoromethoxy)-4-methoxyphenyl]acetate
SMILESCCOC(=O)C(N)c1ccc(OC)c(OC(F)F)c1
InChIInChI=1S/C12H15F2NO4/c1-3-18-11(16)10(15)7-4-5-8(17-2)9(6-7)19-12(13)14/h4-6,10,12H,3,15H2,1-2H3
InChIKeyLZUHAQHVUIWNIA-UHFFFAOYSA-N
MW275.25 g/mol
LogP1.86
Rot. Bonds6

About ethyl 2-amino-2-[3-(difluoromethoxy)-4-methoxyphenyl]acetate

ethyl 2-amino-2-[3-(difluoromethoxy)-4-methoxyphenyl]acetate (PubChem CID 60795939) has the molecular formula C12H15F2NO4 and a molecular weight of 275.25 g/mol. Its IUPAC name is ethyl 2-amino-2-[3-(difluoromethoxy)-4-methoxyphenyl]acetate.

Molecular Properties

Compound Nameethyl 2-amino-2-[3-(difluoromethoxy)-4-methoxyphenyl]acetate
PubChem CID60795939
Molecular FormulaC12H15F2NO4
Molecular Weight275.25 g/mol
Exact Mass275.10
IUPAC Nameethyl 2-amino-2-[3-(difluoromethoxy)-4-methoxyphenyl]acetate
SMILESCCOC(=O)C(N)c1ccc(OC)c(OC(F)F)c1
InChIInChI=1S/C12H15F2NO4/c1-3-18-11(16)10(15)7-4-5-8(17-2)9(6-7)19-12(13)14/h4-6,10,12H,3,15H2,1-2H3
InChIKeyLZUHAQHVUIWNIA-UHFFFAOYSA-N
XLogP1.86
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-[3-(difluoromethoxy)-4-methoxyphenyl]acetate?
The IUPAC name of ethyl 2-amino-2-[3-(difluoromethoxy)-4-methoxyphenyl]acetate (CID 60795939) is ethyl 2-amino-2-[3-(difluoromethoxy)-4-methoxyphenyl]acetate.
What is the SMILES notation for ethyl 2-amino-2-[3-(difluoromethoxy)-4-methoxyphenyl]acetate?
The canonical SMILES for ethyl 2-amino-2-[3-(difluoromethoxy)-4-methoxyphenyl]acetate is CCOC(=O)C(N)c1ccc(OC)c(OC(F)F)c1.
What is the InChIKey of ethyl 2-amino-2-[3-(difluoromethoxy)-4-methoxyphenyl]acetate?
The InChIKey is LZUHAQHVUIWNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO4/c1-3-18-11(16)10(15)7-4-5-8(17-2)9(6-7)19-12(13)14/h4-6,10,12H,3,15H2,1-2H3.
What are the key properties of ethyl 2-amino-2-[3-(difluoromethoxy)-4-methoxyphenyl]acetate?
ethyl 2-amino-2-[3-(difluoromethoxy)-4-methoxyphenyl]acetate has a molecular weight of 275.25 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-[3-(difluoromethoxy)-4-methoxyphenyl]acetate is sourced from PubChem (CID 60795939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).