Basic information
- Standard SMILES
CC(C)(C)OC(=O)Nc1cc(OCC2CC2)c(C(F)(F)F)cc1[N+](=O)[O-]- InChIKey
DBSPUNGWCRETDA-UHFFFAOYSA-N- Molecular formula
- C16H19F3N2O5
- Average molar mass
- 376.33 g/mol
- Monoisotopic mass
- 376.1246062
Names & identifiers
- Preferred name
- (5-Cyclopropylmethoxy-2-nitro-4-trifluoromethyl-phenyl)-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[5-(cyclopropylmethoxy)-2-nitro-4-(trifluoromethyl)phenyl]carbamate
Names & synonyms
(5-Cyclopropylmethoxy-2-nitro-4-trifluoromethyl-phenyl)-carbamic acid tert-butyl esterSCHEMBL5557898DB-388187tert-butyl (5-(cyclopropylmethoxy)-2-nitro-4-(trifluoromethyl)phenyl)carbamate579474-34-3
Database identifiers
- PubChem CID
- 69486933
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 93.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 525
Related reactions
2 records
Compound notes
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