Cas no 684-37-7 (2-Propenoic acid, 3,3-difluoro-2-(trifluoromethyl)-)
684-37-7 structure
Product Name:2-Propenoic acid, 3,3-difluoro-2-(trifluoromethyl)-
CAS No:684-37-7
MF:C4HF5O2
MW:176.041558980942
CID:393183
PubChem ID:10176343
Update Time:2025-04-19
2-Propenoic acid, 3,3-difluoro-2-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid, 3,3-difluoro-2-(trifluoromethyl)-
- 3,3-difluoro-2-(trifluoromethyl)prop-2-enoic acid
- SCHEMBL124489
- Pentafluoromethacrylic acid
- DTXSID80436409
- 3,3-Difluoro-2-(trifluoromethyl)acrylic acid
- perfluoromethacrylic acid
- 684-37-7
- LNUDZOHDUVPVPO-UHFFFAOYSA-N
-
- Inchi： 1S/C4HF5O2/c5-2(6)1(3(10)11)4(7,8)9/h(H,10,11)
- InChI Key： LNUDZOHDUVPVPO-UHFFFAOYSA-N
- SMILES： FC(/C(=C(\F)/F)/C(=O)O)(F)F
Computed Properties
- Exact Mass: 175.98963
- Monoisotopic Mass: 175.98967008g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 199
- 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: 1.3
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
2-Propenoic acid, 3,3-difluoro-2-(trifluoromethyl)- Related Literature
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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