Cas no 132535-86-5 (Pentanoic acid, 2-(trifluoromethyl)-, (-)-)
132535-86-5 structure
Product Name:Pentanoic acid, 2-(trifluoromethyl)-, (-)-
CAS No:132535-86-5
MF:C6H9F3O2
MW:170.129672765732
CID:3708541
PubChem ID:20539748
Update Time:2025-04-22
Pentanoic acid, 2-(trifluoromethyl)-, (-)- Chemical and Physical Properties
Names and Identifiers
-
- Pentanoic acid, 2-(trifluoromethyl)-, (-)-
- SCHEMBL826185
- XQQYATDPOXGADN-UHFFFAOYSA-N
- 995-265-0
- 2-(trifluoromethyl)pentanoic acid
- 132535-86-5
-
- Inchi： 1S/C6H9F3O2/c1-2-3-4(5(10)11)6(7,8)9/h4H,2-3H2,1H3,(H,10,11)
- InChI Key： XQQYATDPOXGADN-UHFFFAOYSA-N
- SMILES： FC(C(C(=O)O)CCC)(F)F
Computed Properties
- Exact Mass: 170.05546401Da
- Monoisotopic Mass: 170.05546401Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 141
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.3
- Topological Polar Surface Area: 37.3?2
Pentanoic acid, 2-(trifluoromethyl)-, (-)- Related Literature
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1. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
132535-86-5 (Pentanoic acid, 2-(trifluoromethyl)-, (-)-) Related Products
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