Basic information
- CAS
174907-40-5- Standard SMILES
N#CCc1c(C(F)(F)F)[nH]c2ccccc12- InChIKey
WZRAXKDKGVWAFJ-UHFFFAOYSA-N- Molecular formula
- C11H7F3N2
- Average molar mass
- 224.18 g/mol
- Monoisotopic mass
- 224.05613272
Names & identifiers
- Preferred name
- 2-(2-(Trifluoromethyl)-1H-indol-3-YL)acetonitrile
- IUPAC
- 2-[2-(trifluoromethyl)-1H-indol-3-yl]acetonitrile
- English name
- 2-(Trifluoromethyl)-1H-indole-3-acetonitrile
- Molecular formula
- C11H7F3N2
- Molecular weight
- 224.18
Names & synonyms
174907-40-52-(2-(TRIFLUOROMETHYL)-1H-INDOL-3-YL)ACETONITRILE2-[2-(TRIFLUOROMETHYL)-1H-INDOL-3-YL]ACETONITRILE[2-(Trifluoromethyl)-1H-indol-3-yl]acetonitrileDTXSID80570791AKOS0159115102-(Trifluoromethyl)-1H-indole-3-acetonitrile1H-Indole-3-acetonitrile, 2-(trifluoromethyl)-
Database identifiers
- CAS
174907-40-5- PubChem CID
- 15271069
- DTXSID
DTXSID80570791- Nikkaji
- J703.443A
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 39.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 304
Physicochemical properties
- Melting point
- 106 · 106-108 °C
- Boiling point
- 350.9 · 350.9±37.0 °C(Predicted)
- Density
- 1.387 · 1.387
- pka
- 13.94 · 13.94±0.30(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers4 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
重庆卡兰医药有限公司[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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