Basic information
- CAS
406-49-5- Standard SMILES
CC(C)CC(F)(F)F- InChIKey
CONTVCYXDSFGMN-UHFFFAOYSA-N- Molecular formula
- C5H9F3
- Average molar mass
- 126.12 g/mol
- Monoisotopic mass
- 126.06563477
Names & identifiers
- Preferred name
- 1,1,1-Trifluoro-3-methylbutane
- IUPAC
- 1,1,1-trifluoro-3-methylbutane
Names & synonyms
1,1,1-Trifluoro-3-methylbutane406-49-5DTXSID00193608RefChem:70860DTXCID00116099SCHEMBL517899SCHEMBL528979SCHEMBL824112SCHEMBL1099874CONTVCYXDSFGMN-UHFFFAOYSA-N
Database identifiers
- CAS
406-49-5- PubChem CID
- 136255
- DTXSID
DTXSID00193608
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 62.6
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…