Dotetracontane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,33,33,34,34,35,35,36,36,37,37,38,38,39,39,40,40,41,41,42,42,42-dotetracontafluoro-12,31-diiodo-
Basic information
- CAS
1980049-42-0- Standard SMILES
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(I)CCCCCCCCCCCCCCCCCCC(I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
UITJWUQAYAQCRH-UHFFFAOYSA-N- Molecular formula
- C42H42F42I2
- Average molar mass
- 1,598.5 g/mol
- Monoisotopic mass
- 1,598.07053
Names & identifiers
- Preferred name
- Dotetracontane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,33,33,34,34,35,35,36,36,37,37,38,38,39,39,40,40,41,41,42,42,42-dotetracontafluoro-12,31-diiodo-
- IUPAC
- 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,33,33,34,34,35,35,36,36,37,37,38,38,39,39,40,40,41,41,42,42,42-dotetracontafluoro-12,31-diiododotetracontane
Names & synonyms
1980049-42-0Dotetracontane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,33,33,34,34,35,35,36,36,37,37,38,38,39,39,40,40,41,41,42,42,42-dotetracontafluoro-12,31-diiodo-DTXSID301099988
Database identifiers
- CAS
1980049-42-0- PubChem CID
- 165366348
- DTXSID
DTXSID301099988
Properties
Computed structural properties
- XLogP
- 27
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 42
- Rotatable bonds
- 39
- Heavy atoms
- 86
- Formal charge
- 0
- Complexity
- 1,960
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Compound notes
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