Basic information
- CAS
79840-60-1- 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)C(F)(F)C(F)(F)CCS- InChIKey
VINOXRJHEBZURZ-UHFFFAOYSA-N- Molecular formula
- C14H5F25S
- Average molar mass
- 680.22 g/mol
- Monoisotopic mass
- 679.9712754
Names & identifiers
- Preferred name
- 1-Tetradecanethiol, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluoro-
- IUPAC
- 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecane-1-thiol
- English name
- 2-(Pentacosafluorododecyl)ethanethiol
- Molecular weight
- 0
Names & synonyms
1-Tetradecanethiol, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluoro-79840-60-112:2 fluorotelomer thiol3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecane-1-thiolSCHEMBL3783688DTXSID0010347452-(Perfluorododecyl)ethane-1-thiol3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-Pentacosafluorotetradecyl hydrosulfide #2-(Pentacosafluorododecyl)ethanethiol3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-Pentacosafluoro-1-tetradecanethiol
Database identifiers
- CAS
79840-60-1- PubChem CID
- 549865
- DTXSID
DTXSID001034745- Nikkaji
- J25.744C
Properties
Computed structural properties
- XLogP
- 9.4
- Topological polar surface area
- 1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 26
- Rotatable bonds
- 12
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 909
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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