Cas no 76304-18-2 (Isoquinoline, 1-[4-(trifluoromethyl)phenyl]-)
![Isoquinoline, 1-[4-(trifluoromethyl)phenyl]- structure](https://ossimg.kuujia.com/scimg/76500/76304-18-2x500.png)
76304-18-2 structure
Product Name:Isoquinoline, 1-[4-(trifluoromethyl)phenyl]-
CAS No:76304-18-2
MF:C16H10F3N
MW:273.252514362335
CID:1779084
PubChem ID:12674520
Update Time:2025-04-21
Isoquinoline, 1-[4-(trifluoromethyl)phenyl]- Chemical and Physical Properties
Names and Identifiers
-
- Isoquinoline, 1-[4-(trifluoromethyl)phenyl]-
- 1-(4-TrifluoroMethyl-phenyl)-isoquinoline
- 1-[4-(trifluoromethyl)phenyl]isoquinoline
- 1-(4-(trifluoromethyl)phenyl)isoquinoline
- SCHEMBL3165491
- 76304-18-2
- 1-(4-Trifluoromethylphenyl)isoquinoline
- DB-215650
- GVPOXQWXNHAESS-UHFFFAOYSA-N
-
- Inchi： 1S/C16H10F3N/c17-16(18,19)13-7-5-12(6-8-13)15-14-4-2-1-3-11(14)9-10-20-15/h1-10H
- InChI Key： GVPOXQWXNHAESS-UHFFFAOYSA-N
- SMILES： FC(C1C=CC(=CC=1)C1C2C=CC=CC=2C=CN=1)(F)F
Computed Properties
- Exact Mass: 273.07653381g/mol
- Monoisotopic Mass: 273.07653381g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 1
- Complexity: 320
- 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: 4.6
- Topological Polar Surface Area: 12.9?2
Isoquinoline, 1-[4-(trifluoromethyl)phenyl]- Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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