Cas no 351900-35-1 (1-Pentanone, 4,4-dimethyl-1-[4-(trifluoromethyl)phenyl]-)
![1-Pentanone, 4,4-dimethyl-1-[4-(trifluoromethyl)phenyl]- structure](https://ossimg.kuujia.com/scimg/352000/351900-35-1x500.png)
351900-35-1 structure
Product Name:1-Pentanone, 4,4-dimethyl-1-[4-(trifluoromethyl)phenyl]-
CAS No:351900-35-1
MF:C14H17F3O
MW:258.279394865036
CID:1468520
Update Time:2024-08-24
1-Pentanone, 4,4-dimethyl-1-[4-(trifluoromethyl)phenyl]- Chemical and Physical Properties
Names and Identifiers
-
- 1-Pentanone, 4,4-dimethyl-1-[4-(trifluoromethyl)phenyl]-
- 4,4-diMethyl-1-(4-(trifluoroMethyl)phenyl)pentan-1-one
- 4,4-dimethyl-1-(4-α,α,α-trifluoromethylphenyl)-1-pentanone
-
- Inchi： 1S/C14H17F3O/c1-13(2,3)9-8-12(18)10-4-6-11(7-5-10)14(15,16)17/h4-7H,8-9H2,1-3H3
- InChI Key： LKNIPNPNMWPDME-UHFFFAOYSA-N
- SMILES： C(C1=CC=C(C(F)(F)F)C=C1)(=O)CCC(C)(C)C
Computed Properties
- Exact Mass: 258.12321
- Monoisotopic Mass: 258.123
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 280
- 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
- Topological Polar Surface Area: 17.1A^2
Experimental Properties
- Density: 1.089±0.06 g/cm3(Predicted)
- Boiling Point: 292.7±40.0 °C(Predicted)
- PSA: 17.07
1-Pentanone, 4,4-dimethyl-1-[4-(trifluoromethyl)phenyl]- Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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