ethyl (2E)-2-(2-fluoroethoxyimino)-2-(2-methyl-1,3-thiazol-4-yl)acetate

C10H13FN2O3S — CID 21138974

IUPACethyl (2E)-2-(2-fluoroethoxyimino)-2-(2-methyl-1,3-thiazol-4-yl)acetate
SMILESCCOC(=O)/C(=N/OCCF)c1csc(C)n1
InChIInChI=1S/C10H13FN2O3S/c1-3-15-10(14)9(13-16-5-4-11)8-6-17-7(2)12-8/h6H,3-5H2,1-2H3/b13-9+
InChIKeyAXYHGDUBBIIKOM-UKTHLTGXSA-N
MW260.29 g/mol
LogP1.70
Rot. Bonds6

About ethyl (2E)-2-(2-fluoroethoxyimino)-2-(2-methyl-1,3-thiazol-4-yl)acetate

ethyl (2E)-2-(2-fluoroethoxyimino)-2-(2-methyl-1,3-thiazol-4-yl)acetate (PubChem CID 21138974) has the molecular formula C10H13FN2O3S and a molecular weight of 260.29 g/mol. Its IUPAC name is ethyl (2E)-2-(2-fluoroethoxyimino)-2-(2-methyl-1,3-thiazol-4-yl)acetate.

Molecular Properties

Compound Nameethyl (2E)-2-(2-fluoroethoxyimino)-2-(2-methyl-1,3-thiazol-4-yl)acetate
PubChem CID21138974
Molecular FormulaC10H13FN2O3S
Molecular Weight260.29 g/mol
Exact Mass260.06
IUPAC Nameethyl (2E)-2-(2-fluoroethoxyimino)-2-(2-methyl-1,3-thiazol-4-yl)acetate
SMILESCCOC(=O)/C(=N/OCCF)c1csc(C)n1
InChIInChI=1S/C10H13FN2O3S/c1-3-15-10(14)9(13-16-5-4-11)8-6-17-7(2)12-8/h6H,3-5H2,1-2H3/b13-9+
InChIKeyAXYHGDUBBIIKOM-UKTHLTGXSA-N
XLogP1.70
TPSA60.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 (2E)-2-(2-fluoroethoxyimino)-2-(2-methyl-1,3-thiazol-4-yl)acetate?
The IUPAC name of ethyl (2E)-2-(2-fluoroethoxyimino)-2-(2-methyl-1,3-thiazol-4-yl)acetate (CID 21138974) is ethyl (2E)-2-(2-fluoroethoxyimino)-2-(2-methyl-1,3-thiazol-4-yl)acetate.
What is the SMILES notation for ethyl (2E)-2-(2-fluoroethoxyimino)-2-(2-methyl-1,3-thiazol-4-yl)acetate?
The canonical SMILES for ethyl (2E)-2-(2-fluoroethoxyimino)-2-(2-methyl-1,3-thiazol-4-yl)acetate is CCOC(=O)/C(=N/OCCF)c1csc(C)n1.
What is the InChIKey of ethyl (2E)-2-(2-fluoroethoxyimino)-2-(2-methyl-1,3-thiazol-4-yl)acetate?
The InChIKey is AXYHGDUBBIIKOM-UKTHLTGXSA-N. The full InChI is InChI=1S/C10H13FN2O3S/c1-3-15-10(14)9(13-16-5-4-11)8-6-17-7(2)12-8/h6H,3-5H2,1-2H3/b13-9+.
What are the key properties of ethyl (2E)-2-(2-fluoroethoxyimino)-2-(2-methyl-1,3-thiazol-4-yl)acetate?
ethyl (2E)-2-(2-fluoroethoxyimino)-2-(2-methyl-1,3-thiazol-4-yl)acetate has a molecular weight of 260.29 g/mol, XLogP of 1.70, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-(2-fluoroethoxyimino)-2-(2-methyl-1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 21138974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).