3-Methylbutyl N-(2,2,3,3,4,4,4-heptafluorobutanoyl)-L-leucinate
Basic information
- CAS
75743-21-4- Standard SMILES
CC(C)CCOC(=O)[C@H](CC(C)C)NC(=O)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
YTDBLVMETUJUBE-JTQLQIEISA-N- Molecular formula
- C15H22F7NO3
- Average molar mass
- 397.33 g/mol
- Monoisotopic mass
- 397.1487907
Names & identifiers
- Preferred name
- 3-Methylbutyl N-(2,2,3,3,4,4,4-heptafluorobutanoyl)-L-leucinate
- IUPAC
- 3-methylbutyl (2S)-2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-4-methylpentanoate
- English name
- 3-Methylbutyl N-(heptafluorobutyryl)leucinate
- Molecular formula
- C15H22F7NO3
- Molecular weight
- 397.33
Names & synonyms
75743-21-43-Methylbutyl N-(2,2,3,3,4,4,4-heptafluorobutanoyl)-L-leucinateDTXSID407037053-Methylbutyl N-(heptafluorobutyryl)leucinateL-Leucine, N-(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)-, 3-methylbutyl ester
Database identifiers
- CAS
75743-21-4- PubChem CID
- 53471645
- DTXSID
DTXSID40703705
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 490
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Related reactions
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Compound notes
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