Cas no 127947-14-2 (Hexadecanoic acid,6,6,16-trifluoro-)
127947-14-2 structure
Product Name:Hexadecanoic acid,6,6,16-trifluoro-
CAS No:127947-14-2
MF:C16H29F3O2
MW:310.395476102829
CID:220921
PubChem ID:196822
Update Time:2025-04-19
Hexadecanoic acid,6,6,16-trifluoro- Chemical and Physical Properties
Names and Identifiers
-
- Hexadecanoic acid,6,6,16-trifluoro-
- 6,6,16-trifluorohexadecanoic acid
- 6,6,16-Trifluoropalmitic acid
- 127947-14-2
- DTXSID70155753
-
- Inchi： 1S/C16H29F3O2/c17-14-10-6-4-2-1-3-5-8-12-16(18,19)13-9-7-11-15(20)21/h1-14H2,(H,20,21)
- InChI Key： DZEJWELXGJZCOF-UHFFFAOYSA-N
- SMILES： FC(CCCCC(=O)O)(CCCCCCCCCCF)F
Computed Properties
- Exact Mass: 310.21207
- Monoisotopic Mass: 310.21196465g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 21
- Rotatable Bond Count: 15
- Complexity: 258
- 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: 5.9
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
Hexadecanoic acid,6,6,16-trifluoro- Related Literature
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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