Basic information
- Standard SMILES
C=Cc1cccc(C(F)(F)F)n1- InChIKey
MLNVMAVEQAQFDF-UHFFFAOYSA-N- Molecular formula
- C8H6F3N
- Average molar mass
- 173.13 g/mol
- Monoisotopic mass
- 173.04523368
Names & identifiers
- Preferred name
- 2-Ethenyl-6-(trifluoromethyl)pyridine
- IUPAC
- 2-ethenyl-6-(trifluoromethyl)pyridine
- English name
- 2-(Trifluoromethyl)-6-vinylpyridine hydrochloride
- Molecular formula
- C8H6F3N
- Molecular weight
- 173.14
Names & synonyms
2-ethenyl-6-(trifluoromethyl)pyridine2-(TRIFLUOROMETHYL)-6-VINYLPYRIDINEPyridine, 2-ethenyl-6-(trifluoromethyl)-SCHEMBL931543DTXSID707325482-trifluoromethyl-6-vinyl-pyridine2-(trifluoromethyl)-6-vinyl-pyridine2-(TRIFLUOROMETHYL)-6-VINYLPYRIDINE HCL2-(Trifluoromethyl)-6-vinylpyridine hydrochloride
Database identifiers
- CAS
1259929-68-4- PubChem CID
- 59636735
- DTXSID
DTXSID70732548
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- Boiling point
- 166.6 · 166.6±35.0 °C(Predicted)
- Density
- 1.218 · 1.218±0.06 g/cm3(Predicted)
- pka
- 0.07 · 0.07±0.12(Predicted)
Chemistry & industry
Suppliers6 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
西安乐纯化工有限责任公司029-15596886083 15596886083 · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
河北药成医药科技有限责任公司19903117580 19903117510 · [email protected]
广州科檬生物科技有限公司400-168-9330 15013243073 · [email protected]
Related reactions
3 records
Linked notes
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