Cas no 651056-39-2 (2-Pyrrolidinecarbonitrile, 1-(chloroacetyl)-4-fluoro-, (2S,4R)-)
651056-39-2 structure
Product Name:2-Pyrrolidinecarbonitrile, 1-(chloroacetyl)-4-fluoro-, (2S,4R)-
CAS No:651056-39-2
MF:C7H8ClFN2O
MW:190.602623939514
CID:406995
PubChem ID:57518633
Update Time:2025-04-19
2-Pyrrolidinecarbonitrile, 1-(chloroacetyl)-4-fluoro-, (2S,4R)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyrrolidinecarbonitrile, 1-(chloroacetyl)-4-fluoro-, (2S,4R)-
- SCHEMBL1397859
- (2s,4r)-1-(chloroacetyl)-4-fluoropyrrolidine-2-carbonitrile
- 651056-39-2
- DTXSID60727004
-
- Inchi： 1S/C7H8ClFN2O/c8-2-7(12)11-4-5(9)1-6(11)3-10/h5-6H,1-2,4H2/t5-,6+/m1/s1
- InChI Key： DMQSZIMWOFNPNR-RITPCOANSA-N
- SMILES： ClCC(N1C[C@@H](C[C@H]1C#N)F)=O
Computed Properties
- Exact Mass: 190.03104
- Monoisotopic Mass: 190.0309187g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 237
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.7
- Topological Polar Surface Area: 44.1?2
Experimental Properties
- PSA: 44.1
2-Pyrrolidinecarbonitrile, 1-(chloroacetyl)-4-fluoro-, (2S,4R)- Related Literature
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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