Basic information
- Standard SMILES
CCC(CCN(C)C(=O)OC(C)(C)C)Oc1cc(Cl)c(F)cc1C#N- InChIKey
PTYQQXBFKZXGGS-UHFFFAOYSA-N- Molecular formula
- C18H24ClFN2O3
- Average molar mass
- 370.8 g/mol
Names & identifiers
- Preferred name
- [3-(5-Chloro-2-cyano-4-fluorophenoxy)pentyl]methylcarbamic acid, 1,1-dimethylethyl ester
- IUPAC
- tert-butyl N-[3-(5-chloro-2-cyano-4-fluorophenoxy)pentyl]-N-methylcarbamate
Names & synonyms
PTYQQXBFKZXGGS-UHFFFAOYSA-N[3-(5-chloro-2-cyano-4-fluorophenoxy)pentyl]methylcarbamic acid, 1,1-dimethylethyl ester
Database identifiers
- PubChem CID
- 91069775
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 488
Related reactions
1 records
Compound notes
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