Basic information
- Standard SMILES
CC(C)(C)OC(=O)NCCc1ccc(Oc2ccc(C(F)(F)F)cn2)c(Br)c1- InChIKey
RZQNXRFGWZWHAK-UHFFFAOYSA-N- Molecular formula
- C19H20BrF3N2O3
- Average molar mass
- 461.3 g/mol
- Monoisotopic mass
- 460.06094
Names & identifiers
- Preferred name
- {2-[3-Bromo-4-(5-trifluoromethyl-pyridin-2-yloxy)-phenyl]-ethyl}-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[2-[3-bromo-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]carbamate
Names & synonyms
{2-[3-bromo-4-(5-trifluoromethyl-pyridin-2-yloxy)-phenyl]-ethyl}-carbamic acid tert-butyl esterSCHEMBL9107123
Database identifiers
- PubChem CID
- 67775429
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 60.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 514
Related reactions
3 records
Compound notes
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