4-Fluoro-1-(2-trifluoromethoxy-ethyl)-1H-indole-3-carboxylic acid methyl ester

HCID 67257501

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Basic information

CAS: 1313044-13-1
Standard SMILES: COC(=O)c1cn(CCOC(F)(F)F)c2cccc(F)c12
InChIKey: SEOBOCMGVPIJSA-UHFFFAOYSA-N
Molecular formula: C13H11F4NO3
Average molar mass: 305.22 g/mol
Monoisotopic mass: 305.06750586

Names & identifiers

Preferred name: 4-Fluoro-1-(2-trifluoromethoxy-ethyl)-1H-indole-3-carboxylic acid methyl ester
IUPAC: methyl 4-fluoro-1-[2-(trifluoromethoxy)ethyl]indole-3-carboxylate

Names & synonyms

4-Fluoro-1-(2-trifluoromethoxy-ethyl)-1H-indole-3-carboxylic acid methyl esterSCHEMBL2039380DTXSID501130992Methyl 4-fluoro-1-[2-(trifluoromethoxy)ethyl]-1H-indole-3-carboxylate1H-Indole-3-carboxylic acid, 4-fluoro-1-[2-(trifluoromethoxy)ethyl]-, methyl ester1313044-13-1

Database identifiers

CAS: 1313044-13-1
PubChem CID: 67257501
DTXSID: DTXSID501130992

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 5
Heavy atoms: 21
Formal charge: 0
Complexity: 377

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