Cas no 62679-60-1 (2,4-Heptanedione, 1,1-difluoro-6-methyl-)
62679-60-1 structure
Product Name:2,4-Heptanedione, 1,1-difluoro-6-methyl-
CAS No:62679-60-1
MF:C8H12F2O2
MW:178.176489830017
CID:435483
PubChem ID:23005499
Update Time:2025-04-19
2,4-Heptanedione, 1,1-difluoro-6-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Heptanedione, 1,1-difluoro-6-methyl-
- 1,1-difluoro-6-methylheptane-2,4-dione
- DTXSID20629671
- AKOS004115379
- 62679-60-1
-
- Inchi： 1S/C8H12F2O2/c1-5(2)3-6(11)4-7(12)8(9)10/h5,8H,3-4H2,1-2H3
- InChI Key： VPCAUVRCZCWVTI-UHFFFAOYSA-N
- SMILES： FC(C(CC(CC(C)C)=O)=O)F
Computed Properties
- Exact Mass: 178.08056
- Monoisotopic Mass: 178.08053595g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 5
- Complexity: 176
- 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: 1.9
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
2,4-Heptanedione, 1,1-difluoro-6-methyl- Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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2. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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