Cas no 129625-31-6 (2,8-bis(trifluoromethyl)quinoline)
129625-31-6 structure
Product Name:2,8-bis(trifluoromethyl)quinoline
CAS No:129625-31-6
MF:C11H5F6N
MW:265.154523611069
CID:1228399
PubChem ID:2825020
Update Time:2025-04-20
2,8-bis(trifluoromethyl)quinoline Chemical and Physical Properties
Names and Identifiers
-
- 2,8-bis(trifluoromethyl)quinoline
- IDI1_015640
- Maybridge3_004253
- HMS1443B07
- CCG-49589
- AC1MCS3D
- NENOMHHOAYYAHX-UHFFFAOYSA-N
- DTXSID10385012
- A805962
- BRD-K70685096-001-01-1
- DB-062702
- SCHEMBL3462719
- 2,8-bis (trifluorome-thyl)quinoline
- SR-01000639036-1
- AKOS015919306
- 129625-31-6
- 2,8-di(trifluoromethyl)quinoline
-
- Inchi： 1S/C11H5F6N/c12-10(13,14)7-3-1-2-6-4-5-8(11(15,16)17)18-9(6)7/h1-5H
- InChI Key： NENOMHHOAYYAHX-UHFFFAOYSA-N
- SMILES： FC(C1=CC=CC2=CC=C(C(F)(F)F)N=C21)(F)F
Computed Properties
- Exact Mass: 265.03261814g/mol
- Monoisotopic Mass: 265.03261814g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 18
- Rotatable Bond Count: 0
- Complexity: 297
- 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
- Topological Polar Surface Area: 12.9?2
2,8-bis(trifluoromethyl)quinoline Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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