Cas no 81944-89-0 (2,4-Octanedione, 1,1,1-trifluoro-)
81944-89-0 structure
Product Name:2,4-Octanedione, 1,1,1-trifluoro-
CAS No:81944-89-0
MF:C8H11F3O2
MW:196.166953325272
CID:702501
PubChem ID:587454
Update Time:2025-04-19
2,4-Octanedione, 1,1,1-trifluoro- Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Octanedione, 1,1,1-trifluoro-
- 1,1,1-trifluorooctane-2,4-dione
- valeryltrifluoroacetone
- DTXSID00343101
- AKOS004115293
- SCHEMBL7252679
- 81944-89-0
- 1,1,1-Trifluoro-2,4-octanedione #
-
- Inchi： 1S/C8H11F3O2/c1-2-3-4-6(12)5-7(13)8(9,10)11/h2-5H2,1H3
- InChI Key： IMVVIEDQKQSPCS-UHFFFAOYSA-N
- SMILES： FC(C(CC(CCCC)=O)=O)(F)F
Computed Properties
- Exact Mass: 196.07111408g/mol
- Monoisotopic Mass: 196.07111408g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 196
- 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: 2.3
- Topological Polar Surface Area: 34.1?2
2,4-Octanedione, 1,1,1-trifluoro- Related Literature
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
81944-89-0 (2,4-Octanedione, 1,1,1-trifluoro-) Related Products
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