Cas no 105875-87-4 (5,6,7,8-tetrafluoro-2,3-dimethyl-2,3-dihydro-1,4-benzodioxine)
105875-87-4 structure
Product Name:5,6,7,8-tetrafluoro-2,3-dimethyl-2,3-dihydro-1,4-benzodioxine
CAS No:105875-87-4
MF:C10H8F4O2
MW:236.162937164307
CID:1169556
PubChem ID:71333894
Update Time:2025-04-20
5,6,7,8-tetrafluoro-2,3-dimethyl-2,3-dihydro-1,4-benzodioxine Chemical and Physical Properties
Names and Identifiers
-
- 5,6,7,8-tetrafluoro-2,3-dimethyl-2,3-dihydro-1,4-benzodioxine
- 105875-87-4
- DTXSID80762078
-
- Inchi： 1S/C10H8F4O2/c1-3-4(2)16-10-8(14)6(12)5(11)7(13)9(10)15-3/h3-4H,1-2H3
- InChI Key： XOFIKCMZMQTBTE-UHFFFAOYSA-N
- SMILES： FC1=C(C(=C(C2=C1OC(C)C(C)O2)F)F)F
Computed Properties
- Exact Mass: 236.04604
- Monoisotopic Mass: 236.04604214g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 239
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.9
- Topological Polar Surface Area: 18.5?2
Experimental Properties
- PSA: 18.46
- LogP: 2.79120
5,6,7,8-tetrafluoro-2,3-dimethyl-2,3-dihydro-1,4-benzodioxine Related Literature
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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