Cas no 339369-59-4 (2-Pyrimidinamine,4-fluoro-6-(2,2,2-trifluoroethoxy)-)
339369-59-4 structure
Product Name:2-Pyrimidinamine,4-fluoro-6-(2,2,2-trifluoroethoxy)-
CAS No:339369-59-4
MF:C6H5F4N3O
MW:211.11701464653
CID:302111
PubChem ID:22832112
Update Time:2025-04-19
2-Pyrimidinamine,4-fluoro-6-(2,2,2-trifluoroethoxy)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyrimidinamine,4-fluoro-6-(2,2,2-trifluoroethoxy)-
- 4-FLUORO-6-(2,2,2-TRIFLUOROETHOXY)-2-PYRIMIDINAMINE
- 4-fluoro-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
- 2-Pyrimidinamine,4-fluoro-6-(2,2,2-trifluoroethoxy)
- 4-fluoranyl-6-[2,2,2-tris(fluoranyl)ethoxy]pyrimidin-2-amine
- A822007
- 339369-59-4
- FT-0713104
- DTXSID30628610
- 2-AMINO-4-TRIFLUOROETHOXY-6-FLUOROPYRIMIDINE
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- Inchi: 1S/C6H5F4N3O/c7-3-1-4(13-5(11)12-3)14-2-6(8,9)10/h1H,2H2,(H2,11,12,13)
- InChI Key: MPNAWRJSBDBAJQ-UHFFFAOYSA-N
- SMILES: FC(COC1C=C(N=C(N)N=1)F)(F)F
Computed Properties
- Exact Mass: 211.03700
- Monoisotopic Mass: 211.037
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 188
- 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
- Surface Charge: 0
- Tautomer Count: 3
- XLogP3: 1.7
- Topological Polar Surface Area: 61A^2
Experimental Properties
- Density: 1.515
- Boiling Point: 275.9°Cat760mmHg
- Flash Point: 120.7°C
- Refractive Index: 1.464
- PSA: 61.03000
- LogP: 1.72020
2-Pyrimidinamine,4-fluoro-6-(2,2,2-trifluoroethoxy)- Related Literature
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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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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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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