Cas no 651056-43-8 (2-Pyrrolidinecarbonitrile, 1-(chloroacetyl)-4-fluoro-, (2R,4R)-)
651056-43-8 structure
Product Name:2-Pyrrolidinecarbonitrile, 1-(chloroacetyl)-4-fluoro-, (2R,4R)-
CAS No:651056-43-8
MF:C7H8ClFN2O
MW:190.602623939514
CID:406991
PubChem ID:58959846
Update Time:2025-04-19
2-Pyrrolidinecarbonitrile, 1-(chloroacetyl)-4-fluoro-, (2R,4R)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyrrolidinecarbonitrile, 1-(chloroacetyl)-4-fluoro-, (2R,4R)-
- (2R,4R)-1-(Chloroacetyl)-4-fluoropyrrolidine-2-carbonitrile
- DTXSID20730690
- 651056-43-8
- SCHEMBL14417783
-
- 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-PHDIDXHHSA-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-, (2R,4R)- Related Literature
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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