Basic information
- Standard SMILES
O=C1N[C@H]2[C@H](CS[C@H]2CCCCC(=O)Oc2c(F)c(F)cc(F)c2F)N1- InChIKey
FFPGMMMTGGBBLX-BHDSKKPTSA-N- Molecular formula
- C16H16F4N2O3S
- Average molar mass
- 392.4 g/mol
Names & identifiers
- Preferred name
- Biotin-2,3,5,6-tetrafluorophenyl ester
- IUPAC
- (2,3,5,6-tetrafluorophenyl) 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoate
Names & synonyms
SCHEMBL1727527FFPGMMMTGGBBLX-BHDSKKPTSA-Nbiotin-2,3,5,6-tetrafluorophenyl ester
Database identifiers
- PubChem CID
- 20610690
- Nikkaji
- J2.679.500A
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 530
Related reactions
1 records
Compound notes
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