Cas no 20594-58-5 (Acetamide,2,2,2-trifluoro-N-tricyclo[3.3.1.13,7]dec-1-yl-)
![Acetamide,2,2,2-trifluoro-N-tricyclo[3.3.1.13,7]dec-1-yl- structure](https://ossimg.kuujia.com/scimg/21000/20594-58-5x500.png)
20594-58-5 structure
Product Name:Acetamide,2,2,2-trifluoro-N-tricyclo[3.3.1.13,7]dec-1-yl-
CAS No:20594-58-5
MF:C12H16F3NO
MW:247.256753921509
CID:290355
PubChem ID:331262
Update Time:2025-04-19
Acetamide,2,2,2-trifluoro-N-tricyclo[3.3.1.13,7]dec-1-yl- Chemical and Physical Properties
Names and Identifiers
-
- Acetamide,2,2,2-trifluoro-N-tricyclo[3.3.1.13,7]dec-1-yl-
- N-(1-adamantyl)-2,2,2-trifluoroacetamide
- 1-Trifluoracetamidoadamantan
- AC1L78NA
- HMS1412P09
- IDI1_008558
- IFLab1_000339
- N-adamant-1-yl-2,2,2-trifluoroacetamide
- NSC322048
- N-Trifluoracetyladamantadin
- 2,2,2-Trifluoro-N-(tricyclo[3.3.1.1~3,7~]decan-1-yl)acetamide
- NSC-322048
- trifluoroacetyladamantylamine
- SCHEMBL7353899
- SR-01000398617
- EU-0001286
- SR-01000398617-1
- AB01096255-03
- N-(ADAMANTAN-1-YL)-2,2,2-TRIFLUOROACETAMIDE
- Acetamide, 2,2,2-trifluoro-N-tricyclo[3.3.1.1(3,7)]dec-1-yl-
- Z56852706
- AKOS001056382
- DTXSID40317922
- 20594-58-5
- NCGC00341453-01
- Acetamide, N-1-adamantyl-2,2,2-trifluoro-
- 1-Adamantylamine, N-trifluoroacetyl-
- N-Adamantan-1-yl-2,2,2-trifluoroacetamide
-
- Inchi： 1S/C12H16F3NO/c13-12(14,15)10(17)16-11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H,16,17)
- InChI Key： CMKIOJNRXWXMCG-UHFFFAOYSA-N
- SMILES： FC(C(NC12CC3CC(CC(C3)C1)C2)=O)(F)F
Computed Properties
- Exact Mass: 247.11848
- Monoisotopic Mass: 247.11839862g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 309
- 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: 3.3
- Topological Polar Surface Area: 29.1?2
Experimental Properties
- PSA: 29.1
- LogP: 3.02460
Acetamide,2,2,2-trifluoro-N-tricyclo[3.3.1.13,7]dec-1-yl- Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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