Basic information
- CAS
397844-32-5- Standard SMILES
C=CCCC(C(=O)OC)(N(CC=C)C(=O)OCc1ccccc1)C(F)(F)F- InChIKey
ULZGGKVGICPFOU-UHFFFAOYSA-N- Molecular formula
- C19H22F3NO4
- Average molar mass
- 385.4 g/mol
- Monoisotopic mass
- 385.15009267
Names & identifiers
- Preferred name
- Methyl 2-{allyl[(benzyloxy)carbonyl]amino}-2-(trifluoromethyl)hex-5-enoate
- IUPAC
- methyl 2-[phenylmethoxycarbonyl(prop-2-enyl)amino]-2-(trifluoromethyl)hex-5-enoate
Names & synonyms
397844-32-5MFCD07779908METHYL 2-{ALLYL[(BENZYLOXY)CARBONYL]AMINO}-2-(TRIFLUOROMETHYL)HEX-5-ENOATEMethyl 2-(allyl((benzyloxy)carbonyl)amino)-2-(trifluoromethyl)hex-5-enoatemethyl 2-{[(benzyloxy)carbonyl](prop-2-en-1-yl)amino}-2-(trifluoromethyl)hex-5-enoateC19H22F3NO4DTXSID501125610AKOS025211851methyl 2-[allyl(benzyloxycarbonyl)amino]-2-(trifluoromethyl)hex-5-enoateMethyl 2-[[(phenylmethoxy)carbonyl]-2-propen-1-ylamino]-2-(trifluoromethyl)-5-hexenoatemethyl 2-[phenylmethoxycarbonyl(prop-2-enyl)amino]-2-(trifluoromethyl)hex-5-enoate
Database identifiers
- CAS
397844-32-5- PubChem CID
- 11047271
- DTXSID
DTXSID501125610- Nikkaji
- J1.633.701C
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 530
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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