Cas no 26902-66-9 (2-Nonanone,1,1,1-trifluoro-)
2-Nonanone,1,1,1-trifluoro- structure
Product Name:2-Nonanone,1,1,1-trifluoro-
CAS No:26902-66-9
MF:C9H15F3O
MW:196.210013628006
CID:284860
PubChem ID:176443
Update Time:2025-04-19
2-Nonanone,1,1,1-trifluoro- Chemical and Physical Properties
Names and Identifiers
-
- 2-Nonanone,1,1,1-trifluoro-
- 1,1,1-trifluorononan-2-one
- 26902-66-9
- 2-Nonanone,1,1,1- trifluoro-
- CHEMBL93675
- BDBM50073977
- SCHEMBL9192692
- NDQOKFMZSIKVBG-UHFFFAOYSA-N
- 1,1,1-Trifluoro-nonan-2-one
- DTXSID00181409
- n-heptyl trifluoromethyl ketone
- AKOS012260319
-
- Inchi： 1S/C9H15F3O/c1-2-3-4-5-6-7-8(13)9(10,11)12/h2-7H2,1H3
- InChI Key： NDQOKFMZSIKVBG-UHFFFAOYSA-N
- SMILES： FC(C(CCCCCCC)=O)(F)F
Computed Properties
- Exact Mass: 196.10755
- Monoisotopic Mass: 196.1075
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 6
- Complexity: 151
- 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: 4.3
- Topological Polar Surface Area: 17.1
Experimental Properties
- Density: 1.029
- Boiling Point: 177.8°C at 760 mmHg
- Flash Point: 90.1°C
- Refractive Index: 1.38
- PSA: 17.07
2-Nonanone,1,1,1-trifluoro- Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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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
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