ethyl 2,2-difluoro-2-(4-methoxy-3-nitrophenoxy)acetate

C11H11F2NO6 — CID 103201519

IUPACethyl 2,2-difluoro-2-(4-methoxy-3-nitrophenoxy)acetate
SMILESCCOC(=O)C(F)(F)Oc1ccc(OC)c([N+](=O)[O-])c1
InChIInChI=1S/C11H11F2NO6/c1-3-19-10(15)11(12,13)20-7-4-5-9(18-2)8(6-7)14(16)17/h4-6H,3H2,1-2H3
InChIKeyHROLRXYQMBAFRQ-UHFFFAOYSA-N
MW291.21 g/mol
LogP2.14
Rot. Bonds6

About ethyl 2,2-difluoro-2-(4-methoxy-3-nitrophenoxy)acetate

ethyl 2,2-difluoro-2-(4-methoxy-3-nitrophenoxy)acetate (PubChem CID 103201519) has the molecular formula C11H11F2NO6 and a molecular weight of 291.21 g/mol. Its IUPAC name is ethyl 2,2-difluoro-2-(4-methoxy-3-nitrophenoxy)acetate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-2-(4-methoxy-3-nitrophenoxy)acetate
PubChem CID103201519
Molecular FormulaC11H11F2NO6
Molecular Weight291.21 g/mol
Exact Mass291.06
IUPAC Nameethyl 2,2-difluoro-2-(4-methoxy-3-nitrophenoxy)acetate
SMILESCCOC(=O)C(F)(F)Oc1ccc(OC)c([N+](=O)[O-])c1
InChIInChI=1S/C11H11F2NO6/c1-3-19-10(15)11(12,13)20-7-4-5-9(18-2)8(6-7)14(16)17/h4-6H,3H2,1-2H3
InChIKeyHROLRXYQMBAFRQ-UHFFFAOYSA-N
XLogP2.14
TPSA87.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.21
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(4-bromo-5-fluoro-2-nitrophenoxy)-2,2-difluoroacetate
CID 103483106
ethyl 2-(2-chloro-4-nitrophenoxy)-2,2-difluoroacetate
CID 66453060
ethyl 2-methyl-2-[2-nitro-4-(trifluoromethyl)phenoxy]propanoate
CID 11461383
ethyl 2-(4-methoxy-2-nitrophenoxy)butanoate
CID 60656318
4-(4-methoxy-3-nitrophenoxy)benzoic acid
CID 103201557
ethyl 2-(4-chloro-3-fluorophenoxy)-2,2-difluoroacetate
CID 82717095
2-amino-3-(4-methoxy-3-nitrophenoxy)propanamide
CID 103201521
2-methoxy-1-nitro-4-(trifluoromethoxy)benzene
CID 53417127
(4-methoxy-2-nitrophenyl) propanoate
CID 58225888
(4-methoxy-3-nitrophenyl) prop-2-enoate
CID 139661081
ethyl 2-(1,3-benzodioxol-5-yloxy)-2,2-difluoroacetate
CID 66452196
diethyl 2-[2-(4-methoxy-3-nitrophenyl)-2-oxoethyl]propanedioate
CID 102243694

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoro-2-(4-methoxy-3-nitrophenoxy)acetate?
The IUPAC name of ethyl 2,2-difluoro-2-(4-methoxy-3-nitrophenoxy)acetate (CID 103201519) is ethyl 2,2-difluoro-2-(4-methoxy-3-nitrophenoxy)acetate.
What is the SMILES notation for ethyl 2,2-difluoro-2-(4-methoxy-3-nitrophenoxy)acetate?
The canonical SMILES for ethyl 2,2-difluoro-2-(4-methoxy-3-nitrophenoxy)acetate is CCOC(=O)C(F)(F)Oc1ccc(OC)c([N+](=O)[O-])c1.
What is the InChIKey of ethyl 2,2-difluoro-2-(4-methoxy-3-nitrophenoxy)acetate?
The InChIKey is HROLRXYQMBAFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO6/c1-3-19-10(15)11(12,13)20-7-4-5-9(18-2)8(6-7)14(16)17/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 2,2-difluoro-2-(4-methoxy-3-nitrophenoxy)acetate?
ethyl 2,2-difluoro-2-(4-methoxy-3-nitrophenoxy)acetate has a molecular weight of 291.21 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluoro-2-(4-methoxy-3-nitrophenoxy)acetate is sourced from PubChem (CID 103201519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).