ethyl 2-(2-chloro-4-nitrophenoxy)-2,2-difluoroacetate

C10H8ClF2NO5 — CID 66453060

IUPACethyl 2-(2-chloro-4-nitrophenoxy)-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C10H8ClF2NO5/c1-2-18-9(15)10(12,13)19-8-4-3-6(14(16)17)5-7(8)11/h3-5H,2H2,1H3
InChIKeyKPUHZYDLLIGZCV-UHFFFAOYSA-N
MW295.63 g/mol
LogP2.78
Rot. Bonds5

About ethyl 2-(2-chloro-4-nitrophenoxy)-2,2-difluoroacetate

ethyl 2-(2-chloro-4-nitrophenoxy)-2,2-difluoroacetate (PubChem CID 66453060) has the molecular formula C10H8ClF2NO5 and a molecular weight of 295.63 g/mol. Its IUPAC name is ethyl 2-(2-chloro-4-nitrophenoxy)-2,2-difluoroacetate.

Molecular Properties

Compound Nameethyl 2-(2-chloro-4-nitrophenoxy)-2,2-difluoroacetate
PubChem CID66453060
Molecular FormulaC10H8ClF2NO5
Molecular Weight295.63 g/mol
Exact Mass295.01
IUPAC Nameethyl 2-(2-chloro-4-nitrophenoxy)-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C10H8ClF2NO5/c1-2-18-9(15)10(12,13)19-8-4-3-6(14(16)17)5-7(8)11/h3-5H,2H2,1H3
InChIKeyKPUHZYDLLIGZCV-UHFFFAOYSA-N
XLogP2.78
TPSA78.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.63
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(2-chloro-4-nitrophenoxy)-2-methylpropanoate
CID 17370896
ethyl 2-(2-chloro-4-nitrophenoxy)-2-fluoroacetate
CID 79356650
ethyl (3R)-3-amino-3-(2-chloro-5-nitrophenyl)-2,2-difluoropropanoate
CID 171241884
ethyl 2,2-difluoro-2-(4-methoxy-3-nitrophenoxy)acetate
CID 103201519
(2-chloro-4-nitrophenyl) acetate
CID 14345185
ethyl 2-[4-nitro-2-(trifluoromethoxy)phenyl]acetate
CID 171028760
2-(2-chloro-4-nitrophenoxy)butanamide
CID 62901256
ethyl 2-(4-bromo-5-fluoro-2-nitrophenoxy)-2,2-difluoroacetate
CID 103483106
4-(2-chloro-4-nitrophenoxy)butan-2-one
CID 60666840
2-chloro-4-nitro-1-pent-2-en-3-yloxybenzene
CID 57128308
ethyl 2-(4-chloro-3-fluorophenoxy)-2,2-difluoroacetate
CID 82717095
ethyl 5-[5-nitro-2-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxylate
CID 169401461

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-chloro-4-nitrophenoxy)-2,2-difluoroacetate?
The IUPAC name of ethyl 2-(2-chloro-4-nitrophenoxy)-2,2-difluoroacetate (CID 66453060) is ethyl 2-(2-chloro-4-nitrophenoxy)-2,2-difluoroacetate.
What is the SMILES notation for ethyl 2-(2-chloro-4-nitrophenoxy)-2,2-difluoroacetate?
The canonical SMILES for ethyl 2-(2-chloro-4-nitrophenoxy)-2,2-difluoroacetate is CCOC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of ethyl 2-(2-chloro-4-nitrophenoxy)-2,2-difluoroacetate?
The InChIKey is KPUHZYDLLIGZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF2NO5/c1-2-18-9(15)10(12,13)19-8-4-3-6(14(16)17)5-7(8)11/h3-5H,2H2,1H3.
What are the key properties of ethyl 2-(2-chloro-4-nitrophenoxy)-2,2-difluoroacetate?
ethyl 2-(2-chloro-4-nitrophenoxy)-2,2-difluoroacetate has a molecular weight of 295.63 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-chloro-4-nitrophenoxy)-2,2-difluoroacetate is sourced from PubChem (CID 66453060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).