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Basic information
- Standard SMILES
C=C(c1ccc(OC)c(-c2ccc(C(F)(F)F)cc2CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)OC)c1)C(F)(F)F- InChIKey
PLCHPRNWSOJXEF-UHFFFAOYSA-N- Molecular formula
- C29H21F12NO3
- Average molar mass
- 659.5 g/mol
- Monoisotopic mass
- 659.1329815
Names & identifiers
- Preferred name
- Methyl [3,5-bis(trifluoromethyl)benzyl]({2'-methoxy-4-(trifluoromethyl)-5'-[1-(trifluoromethyl)vinyl]biphenyl-2-yl}methyl)carbamate
- IUPAC
- methyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[2-methoxy-5-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]-5-(trifluoromethyl)phenyl]methyl]carbamate
Names & synonyms
Methyl [3,5-bis(trifluoromethyl)benzyl]({2'-methoxy-4-(trifluoromethyl)-5'-[1-(trifluoromethyl)vinyl]biphenyl-2-yl}methyl)carbamateMethyl [3.5-bis(trifluoromethyl)benzyl]({2'-methoxy-4-(trifluoromethyl)-5'-[1-(trifluoromethyl)vinyl]biphenyl-2-yl}methyl)carbamate
Database identifiers
- PubChem CID
- 86615401
Properties
Computed structural propertiesFilling in
- XLogP
- 9.3
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 8
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 986
Related reactions
3 records
Compound notes
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