Cas no 62935-31-3 (Propanedioic acid, (trifluoromethyl)-, dibutyl ester)
62935-31-3 structure
Product Name:Propanedioic acid, (trifluoromethyl)-, dibutyl ester
CAS No:62935-31-3
MF:C12H19F3O4
MW:284.27207493782
CID:428630
PubChem ID:71381795
Update Time:2025-04-19
Propanedioic acid, (trifluoromethyl)-, dibutyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanedioic acid, (trifluoromethyl)-, dibutyl ester
- dibutyl 2-(trifluoromethyl)propanedioate
- DTXSID10804218
- 62935-31-3
- Dibutyl (trifluoromethyl)propanedioate
-
- Inchi： 1S/C12H19F3O4/c1-3-5-7-18-10(16)9(12(13,14)15)11(17)19-8-6-4-2/h9H,3-8H2,1-2H3
- InChI Key： PZDLUZQUELWDRH-UHFFFAOYSA-N
- SMILES： FC(C(C(=O)OCCCC)C(=O)OCCCC)(F)F
Computed Properties
- Exact Mass: 284.12357
- Monoisotopic Mass: 284.12354357g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 19
- Rotatable Bond Count: 10
- Complexity: 267
- 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: 3.8
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
Propanedioic acid, (trifluoromethyl)-, dibutyl ester Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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