Cas no 71792-93-3 (2-Propanone, 1,3-bis[3-(trifluoromethyl)phenyl]-)
![2-Propanone, 1,3-bis[3-(trifluoromethyl)phenyl]- structure](https://ossimg.kuujia.com/scimg/72000/71792-93-3x500.png)
71792-93-3 structure
Product Name:2-Propanone, 1,3-bis[3-(trifluoromethyl)phenyl]-
CAS No:71792-93-3
MF:C17H12F6O
MW:346.26700592041
CID:545047
PubChem ID:13221706
Update Time:2025-04-19
2-Propanone, 1,3-bis[3-(trifluoromethyl)phenyl]- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propanone, 1,3-bis[3-(trifluoromethyl)phenyl]-
- 1,3-bis[3-(trifluoromethyl)phenyl]propan-2-one
- PVWRQYUVLKSIMF-UHFFFAOYSA-N
- DTXSID70529470
- 71792-93-3
- SCHEMBL6865758
-
- Inchi： 1S/C17H12F6O/c18-16(19,20)13-5-1-3-11(7-13)9-15(24)10-12-4-2-6-14(8-12)17(21,22)23/h1-8H,9-10H2
- InChI Key： PVWRQYUVLKSIMF-UHFFFAOYSA-N
- SMILES： FC(C1=CC=CC(=C1)CC(CC1C=CC=C(C(F)(F)F)C=1)=O)(F)F
Computed Properties
- Exact Mass: 346.07926
- Monoisotopic Mass: 346.07923397g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 24
- Rotatable Bond Count: 4
- Complexity: 390
- 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: 4.9
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
2-Propanone, 1,3-bis[3-(trifluoromethyl)phenyl]- Related Literature
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
-
Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
-
J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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