ethyl 2-(2-bromo-4-chloro-6-nitrophenoxy)-2-fluoroacetate

C10H8BrClFNO5 — CID 79356761

IUPACethyl 2-(2-bromo-4-chloro-6-nitrophenoxy)-2-fluoroacetate
SMILESCCOC(=O)C(F)Oc1c(Br)cc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C10H8BrClFNO5/c1-2-18-10(15)9(13)19-8-6(11)3-5(12)4-7(8)14(16)17/h3-4,9H,2H2,1H3
InChIKeyWVWRHOGKYHUHFO-UHFFFAOYSA-N
MW356.53 g/mol
LogP3.25
Rot. Bonds5

About ethyl 2-(2-bromo-4-chloro-6-nitrophenoxy)-2-fluoroacetate

ethyl 2-(2-bromo-4-chloro-6-nitrophenoxy)-2-fluoroacetate (PubChem CID 79356761) has the molecular formula C10H8BrClFNO5 and a molecular weight of 356.53 g/mol. Its IUPAC name is ethyl 2-(2-bromo-4-chloro-6-nitrophenoxy)-2-fluoroacetate.

Molecular Properties

Compound Nameethyl 2-(2-bromo-4-chloro-6-nitrophenoxy)-2-fluoroacetate
PubChem CID79356761
Molecular FormulaC10H8BrClFNO5
Molecular Weight356.53 g/mol
Exact Mass354.93
IUPAC Nameethyl 2-(2-bromo-4-chloro-6-nitrophenoxy)-2-fluoroacetate
SMILESCCOC(=O)C(F)Oc1c(Br)cc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C10H8BrClFNO5/c1-2-18-10(15)9(13)19-8-6(11)3-5(12)4-7(8)14(16)17/h3-4,9H,2H2,1H3
InChIKeyWVWRHOGKYHUHFO-UHFFFAOYSA-N
XLogP3.25
TPSA78.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.53
LogP ≤ 53.25
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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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-bromo-4-chloro-6-nitrophenoxy)-2-fluoroacetate?
The IUPAC name of ethyl 2-(2-bromo-4-chloro-6-nitrophenoxy)-2-fluoroacetate (CID 79356761) is ethyl 2-(2-bromo-4-chloro-6-nitrophenoxy)-2-fluoroacetate.
What is the SMILES notation for ethyl 2-(2-bromo-4-chloro-6-nitrophenoxy)-2-fluoroacetate?
The canonical SMILES for ethyl 2-(2-bromo-4-chloro-6-nitrophenoxy)-2-fluoroacetate is CCOC(=O)C(F)Oc1c(Br)cc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of ethyl 2-(2-bromo-4-chloro-6-nitrophenoxy)-2-fluoroacetate?
The InChIKey is WVWRHOGKYHUHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClFNO5/c1-2-18-10(15)9(13)19-8-6(11)3-5(12)4-7(8)14(16)17/h3-4,9H,2H2,1H3.
What are the key properties of ethyl 2-(2-bromo-4-chloro-6-nitrophenoxy)-2-fluoroacetate?
ethyl 2-(2-bromo-4-chloro-6-nitrophenoxy)-2-fluoroacetate has a molecular weight of 356.53 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-bromo-4-chloro-6-nitrophenoxy)-2-fluoroacetate is sourced from PubChem (CID 79356761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).