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

C11H12F3NO3 — CID 171011130

IUPACethyl 2-[4-amino-3-(difluoromethoxy)-2-fluorophenyl]acetate
SMILESCCOC(=O)Cc1ccc(N)c(OC(F)F)c1F
InChIInChI=1S/C11H12F3NO3/c1-2-17-8(16)5-6-3-4-7(15)10(9(6)12)18-11(13)14/h3-4,11H,2,5,15H2,1H3
InChIKeyQCPWOOMJOKJNBA-UHFFFAOYSA-N
MW263.21 g/mol
LogP2.11
Rot. Bonds5

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

ethyl 2-[4-amino-3-(difluoromethoxy)-2-fluorophenyl]acetate (PubChem CID 171011130) has the molecular formula C11H12F3NO3 and a molecular weight of 263.21 g/mol. Its IUPAC name is ethyl 2-[4-amino-3-(difluoromethoxy)-2-fluorophenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-amino-3-(difluoromethoxy)-2-fluorophenyl]acetate
PubChem CID171011130
Molecular FormulaC11H12F3NO3
Molecular Weight263.21 g/mol
Exact Mass263.08
IUPAC Nameethyl 2-[4-amino-3-(difluoromethoxy)-2-fluorophenyl]acetate
SMILESCCOC(=O)Cc1ccc(N)c(OC(F)F)c1F
InChIInChI=1S/C11H12F3NO3/c1-2-17-8(16)5-6-3-4-7(15)10(9(6)12)18-11(13)14/h3-4,11H,2,5,15H2,1H3
InChIKeyQCPWOOMJOKJNBA-UHFFFAOYSA-N
XLogP2.11
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 52.11
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-amino-4-bromo-3-(difluoromethoxy)phenyl]acetate
CID 171019944
ethyl 2-[5-(chloromethyl)-2-(difluoromethoxy)-3-fluorophenyl]acetate
CID 171019381
ethyl 2-[3-(bromomethyl)-2-(difluoromethoxy)-5-methylphenyl]acetate
CID 171016563
ethyl 2-[4-cyano-2-(difluoromethoxy)-3-ethylphenyl]acetate
CID 134614513
ethyl 2-[2-cyano-3-(difluoromethoxy)-4-iodophenyl]acetate
CID 134653910
ethyl 2-[3-(aminomethyl)-4-cyano-2-(difluoromethoxy)phenyl]acetate
CID 134652163
ethyl 2-[2-cyano-3-(difluoromethoxy)-4-formylphenyl]acetate
CID 134653788
ethyl 2-[2-(difluoromethyl)-3-fluoro-4-pyridinyl]acetate
CID 133091163
ethyl 2-[5-amino-2-bromo-4-(difluoromethoxy)phenyl]acetate
CID 171019228
ethyl 2-(2,3-diamino-4-fluorophenyl)acetate
CID 171024930
ethyl 2-[4-cyano-3-(difluoromethoxy)-2-nitrophenyl]acetate
CID 134654800
ethyl 2-(2-amino-3-fluoro-4-pyridinyl)acetate
CID 133096427

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-amino-3-(difluoromethoxy)-2-fluorophenyl]acetate?
The IUPAC name of ethyl 2-[4-amino-3-(difluoromethoxy)-2-fluorophenyl]acetate (CID 171011130) is ethyl 2-[4-amino-3-(difluoromethoxy)-2-fluorophenyl]acetate.
What is the SMILES notation for ethyl 2-[4-amino-3-(difluoromethoxy)-2-fluorophenyl]acetate?
The canonical SMILES for ethyl 2-[4-amino-3-(difluoromethoxy)-2-fluorophenyl]acetate is CCOC(=O)Cc1ccc(N)c(OC(F)F)c1F.
What is the InChIKey of ethyl 2-[4-amino-3-(difluoromethoxy)-2-fluorophenyl]acetate?
The InChIKey is QCPWOOMJOKJNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO3/c1-2-17-8(16)5-6-3-4-7(15)10(9(6)12)18-11(13)14/h3-4,11H,2,5,15H2,1H3.
What are the key properties of ethyl 2-[4-amino-3-(difluoromethoxy)-2-fluorophenyl]acetate?
ethyl 2-[4-amino-3-(difluoromethoxy)-2-fluorophenyl]acetate has a molecular weight of 263.21 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-amino-3-(difluoromethoxy)-2-fluorophenyl]acetate is sourced from PubChem (CID 171011130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).