Cas no 74164-55-9 ((2R)-2-(Trifluoromethyl)hexanoic acid)
74164-55-9 structure
Product Name:(2R)-2-(Trifluoromethyl)hexanoic acid
CAS No:74164-55-9
MF:C7H11F3O2
MW:184.156253099442
CID:2844513
PubChem ID:53691639
Update Time:2025-04-21
(2R)-2-(Trifluoromethyl)hexanoic acid Chemical and Physical Properties
Names and Identifiers
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- 74164-55-9
- SCHEMBL11299270
- DTXSID20705984
- (2R)-2-(Trifluoromethyl)hexanoic acid
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- Inchi： 1S/C7H11F3O2/c1-2-3-4-5(6(11)12)7(8,9)10/h5H,2-4H2,1H3,(H,11,12)/t5-/m0/s1
- InChI Key： BNPZSCCCDNKDPT-YFKPBYRVSA-N
- SMILES： FC([C@H](C(=O)O)CCCC)(F)F
Computed Properties
- Exact Mass: 184.07111408Da
- Monoisotopic Mass: 184.07111408Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 153
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.8
- Topological Polar Surface Area: 37.3?2
(2R)-2-(Trifluoromethyl)hexanoic acid Related Literature
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Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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