Cas no 26902-72-7 (2-Dodecanone,1,1,1-trifluoro-)
2-Dodecanone,1,1,1-trifluoro- structure
Product Name:2-Dodecanone,1,1,1-trifluoro-
CAS No:26902-72-7
MF:C12H21F3O
MW:238.289754629135
CID:283391
PubChem ID:176445
Update Time:2025-04-19
2-Dodecanone,1,1,1-trifluoro- Chemical and Physical Properties
Names and Identifiers
-
- 2-Dodecanone,1,1,1-trifluoro-
- 1,1,1-trifluorododecan-2-one
- PD179103
- 26902-72-7
- 2-Dodecanone, 1,1,1-trifluoro-
- DTXSID70949694
- YXTBWTOMSMZIMA-UHFFFAOYSA-N
- AKOS012717674
- BDBM50371959
- CHEMBL86668
-
- Inchi： 1S/C12H21F3O/c1-2-3-4-5-6-7-8-9-10-11(16)12(13,14)15/h2-10H2,1H3
- InChI Key： YXTBWTOMSMZIMA-UHFFFAOYSA-N
- SMILES： FC(C(CCCCCCCCCC)=O)(F)F
Computed Properties
- Exact Mass: 238.15453
- Monoisotopic Mass: 238.154
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 9
- Complexity: 187
- 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: 5.7
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- Density: 0.992
- Boiling Point: 240.2°C at 760 mmHg
- Flash Point: 143.4°C
- Refractive Index: 1.399
- PSA: 17.07
2-Dodecanone,1,1,1-trifluoro- Related Literature
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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