ethyl 2-(2-chloro-4-nitrophenoxy)-2-fluoroacetate

C10H9ClFNO5 — CID 79356650

IUPACethyl 2-(2-chloro-4-nitrophenoxy)-2-fluoroacetate
SMILESCCOC(=O)C(F)Oc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C10H9ClFNO5/c1-2-17-10(14)9(12)18-8-4-3-6(13(15)16)5-7(8)11/h3-5,9H,2H2,1H3
InChIKeyNGGSDJQVRWLUIZ-UHFFFAOYSA-N
MW277.64 g/mol
LogP2.49
Rot. Bonds5

About ethyl 2-(2-chloro-4-nitrophenoxy)-2-fluoroacetate

ethyl 2-(2-chloro-4-nitrophenoxy)-2-fluoroacetate (PubChem CID 79356650) has the molecular formula C10H9ClFNO5 and a molecular weight of 277.64 g/mol. Its IUPAC name is ethyl 2-(2-chloro-4-nitrophenoxy)-2-fluoroacetate.

Molecular Properties

Compound Nameethyl 2-(2-chloro-4-nitrophenoxy)-2-fluoroacetate
PubChem CID79356650
Molecular FormulaC10H9ClFNO5
Molecular Weight277.64 g/mol
Exact Mass277.02
IUPAC Nameethyl 2-(2-chloro-4-nitrophenoxy)-2-fluoroacetate
SMILESCCOC(=O)C(F)Oc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C10H9ClFNO5/c1-2-17-10(14)9(12)18-8-4-3-6(13(15)16)5-7(8)11/h3-5,9H,2H2,1H3
InChIKeyNGGSDJQVRWLUIZ-UHFFFAOYSA-N
XLogP2.49
TPSA78.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.64
LogP ≤ 52.49
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

2-(2-chloro-4-nitrophenoxy)butanamide
CID 62901256
ethyl 2-(2-chloro-4-cyanophenoxy)-2-fluoroacetate
CID 79356473
ethyl 2-(2-chloro-4-nitrophenoxy)-2,2-difluoroacetate
CID 66453060
ethyl 2-(2-chloro-4-nitrophenoxy)-2-methylpropanoate
CID 17370896
ethyl 2-(4-ethyl-2-nitrophenoxy)-2-fluoroacetate
CID 79356770
(2S)-2-(2-chloro-4-nitrophenoxy)-N-ethylpropanamide
CID 9410254
ethyl 2-(2-chloro-4-nitrophenyl)-2-cyanoacetate
CID 113428002
ethyl 2-fluoro-2-(4-nitronaphthalen-1-yl)oxyacetate
CID 79356668
ethyl 2-amino-3-(2-chloro-5-nitrophenoxy)propanoate
CID 63992197
2-(2-chloro-4-nitrophenoxy)-3-methoxypropanehydrazide
CID 103229182
2-amino-4-(2-chloro-4-nitrophenoxy)-2-methylpentanoic acid
CID 64708987
2-chloro-4-nitro-1-pent-2-en-3-yloxybenzene
CID 57128308

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-chloro-4-nitrophenoxy)-2-fluoroacetate?
The IUPAC name of ethyl 2-(2-chloro-4-nitrophenoxy)-2-fluoroacetate (CID 79356650) is ethyl 2-(2-chloro-4-nitrophenoxy)-2-fluoroacetate.
What is the SMILES notation for ethyl 2-(2-chloro-4-nitrophenoxy)-2-fluoroacetate?
The canonical SMILES for ethyl 2-(2-chloro-4-nitrophenoxy)-2-fluoroacetate is CCOC(=O)C(F)Oc1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of ethyl 2-(2-chloro-4-nitrophenoxy)-2-fluoroacetate?
The InChIKey is NGGSDJQVRWLUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFNO5/c1-2-17-10(14)9(12)18-8-4-3-6(13(15)16)5-7(8)11/h3-5,9H,2H2,1H3.
What are the key properties of ethyl 2-(2-chloro-4-nitrophenoxy)-2-fluoroacetate?
ethyl 2-(2-chloro-4-nitrophenoxy)-2-fluoroacetate has a molecular weight of 277.64 g/mol, XLogP of 2.49, 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-fluoroacetate is sourced from PubChem (CID 79356650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).