Basic information
- Standard SMILES
CC(C)OC(=O)/C=C\n1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1- InChIKey
ACPFCPULKUGRNE-ARJAWSKDSA-N- Molecular formula
- C16H13F6N3O2
- Average molar mass
- 393.28 g/mol
- Monoisotopic mass
- 393.09119564
Names & identifiers
- Preferred name
- (Z)-isopropyl 3-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)acrylate
- IUPAC
- propan-2-yl (Z)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enoate
Names & synonyms
1333152-22-9(Z)-isopropyl 3-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)acrylateMFCD28978034isopropyl (Z)-3-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)acrylatepropan-2-yl (Z)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enoateC16H13F6N3O2Isopropyl (Z)-3-[3-[3,5-Bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]acrylateSCHEMBL1336052YQF5221CS-D1748SY280639WS-01894
Show more names
DB-131223D77357(Z)-isopropyl3-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)acrylateisopropyl (Z)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enoate
Database identifiers
- PubChem CID
- 53386343
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 57 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 527
Related reactions
9 records
Compound notes
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