N-ethoxyethyl-2-trifluoroacetylpyrrole

HCID 68869870

Notes Reactions

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Basic information

CAS: 573720-39-5
Standard SMILES: CCOCCn1cccc1C(=O)C(F)(F)F
InChIKey: KQVSEPHIKHEHEW-UHFFFAOYSA-N
Molecular formula: C10H12F3NO2
Average molar mass: 235.2 g/mol
Monoisotopic mass: 235.08201328

Names & identifiers

Preferred name: N-ethoxyethyl-2-trifluoroacetylpyrrole
IUPAC: 1-[1-(2-ethoxyethyl)pyrrol-2-yl]-2,2,2-trifluoroethanone

Names & synonyms

N-ethoxyethyl-2-trifluoroacetylpyrroleSCHEMBL3996429DTXSID0011840991-[1-(2-Ethoxyethyl)-1H-pyrrol-2-yl]-2,2,2-trifluoroethan-1-one1-[1-(2-Ethoxyethyl)-1H-pyrrol-2-yl]-2,2,2-trifluoroethanone573720-39-5

Database identifiers

CAS: 573720-39-5
PubChem CID: 68869870
DTXSID: DTXSID001184099

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 31.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 16
Formal charge: 0
Complexity: 243

Related reactions

8 records

New reaction record

HRID 1452544As productuspto-grants-2009_01

HRID 1452546As reactantuspto-grants-2009_01

HRID 1791017As productuspto-grants-2006_07

HRID 1791019As reactantuspto-grants-2006_07

HRID 2053678As productuspto-grants-2008_02

HRID 2053680As reactantuspto-grants-2008_02

HRID 2216545As productuspto-grants-2006_09

HRID 2216547As reactantuspto-grants-2006_09

Compound notes

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