Cas no 143812-63-9 (4-(trifluoromethyl)-1H-Pyrrole-2-carbonitrile)
143812-63-9 structure
Product Name:4-(trifluoromethyl)-1H-Pyrrole-2-carbonitrile
CAS No:143812-63-9
MF:C6H3F3N2
MW:160.096631288528
CID:1106160
PubChem ID:15150704
Update Time:2025-04-20
4-(trifluoromethyl)-1H-Pyrrole-2-carbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 4-(trifluoromethyl)-1H-Pyrrole-2-carbonitrile
- 2-cyano-4-trifluoromethylpyrrole
- C6H3F3N2
- 143812-63-9
-
- Inchi： 1S/C6H3F3N2/c7-6(8,9)4-1-5(2-10)11-3-4/h1,3,11H
- InChI Key： MLOQRTROCWTMPX-UHFFFAOYSA-N
- SMILES： FC(C1=CNC(C#N)=C1)(F)F
Computed Properties
- Exact Mass: 160.02483259g/mol
- Monoisotopic Mass: 160.02483259g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 190
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.6
- Topological Polar Surface Area: 39.6?2
4-(trifluoromethyl)-1H-Pyrrole-2-carbonitrile Related Literature
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
143812-63-9 (4-(trifluoromethyl)-1H-Pyrrole-2-carbonitrile) Related Products
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