3,4-bis(trifluoromethyl)-1H-pyrrole
Basic information
- CAS
82912-41-2- Standard SMILES
FC(F)(F)c1c[nH]cc1C(F)(F)F- InChIKey
MEXIJEVOUWNEMH-UHFFFAOYSA-N- Molecular formula
- C6H3F6N
- Average molar mass
- 203.08 g/mol
- Monoisotopic mass
- 203.01696807
Names & identifiers
- Preferred name
- 3,4-bis(trifluoromethyl)-1H-pyrrole
- IUPAC
- 3,4-bis(trifluoromethyl)-1H-pyrrole
- English name
- 3,4-bis(trifluoromethyl)-1H-pyrrole
- Molecular formula
- C6H3F6N
- Molecular weight
- 203.0851392
Names & synonyms
3,4-bis(trifluoromethyl)-1H-pyrrole82912-41-2DTXSID80320874RefChem:270722DTXCID00271995NSC365784starbld0049323SCHEMBL7957854SCHEMBL99015453,4-bis(trifluoromethyl)pyrroleMEXIJEVOUWNEMH-UHFFFAOYSA-N3,4-bis(trifluormethyl)-1H-pyrrol
Show more names
NSC-365784DS-013907
Database identifiers
- CAS
82912-41-2- PubChem CID
- 339380
- DTXSID
DTXSID80320874- Nikkaji
- J3.352.470F
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 15.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 163
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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