Cas no 127199-15-9 (Carbamic acid,N-[(1S,2R)-2-fluorocyclopropyl]-, 1,1-dimethylethyl ester)
![Carbamic acid,N-[(1S,2R)-2-fluorocyclopropyl]-, 1,1-dimethylethyl ester structure](https://ossimg.kuujia.com/scimg/127500/127199-15-9x500.png)
127199-15-9 structure
Product Name:Carbamic acid,N-[(1S,2R)-2-fluorocyclopropyl]-, 1,1-dimethylethyl ester
CAS No:127199-15-9
MF:C8H14FNO2
MW:175.200665950775
CID:103206
PubChem ID:10442212
Update Time:2025-04-18
Carbamic acid,N-[(1S,2R)-2-fluorocyclopropyl]-, 1,1-dimethylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Carbamic acid,N-[(1S,2R)-2-fluorocyclopropyl]-, 1,1-dimethylethyl ester
- Carbamic acid, (2-fluorocyclopropyl)-, 1,1-dimethylethyl ester, (1S-cis)- (9CI)
- tert-Butyl ((1S,2R)-2-fluorocyclopropyl)carbamate
- 127199-15-9
- SCHEMBL25793919
-
- Inchi： 1S/C8H14FNO2/c1-8(2,3)12-7(11)10-6-4-5(6)9/h5-6H,4H2,1-3H3,(H,10,11)/t5-,6+/m1/s1
- InChI Key： VWSDKMQGCVVQBV-RITPCOANSA-N
- SMILES： F[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C
Computed Properties
- Exact Mass: 175.10092
- Monoisotopic Mass: 175.10085685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 220
- 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: nothing
- XLogP3: 2.8
- Topological Polar Surface Area: 38.3?2
Experimental Properties
- PSA: 38.33
Carbamic acid,N-[(1S,2R)-2-fluorocyclopropyl]-, 1,1-dimethylethyl ester Related Literature
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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