Cas no 1701-08-2 (Butanamide,4,4,4-trifluoro-N-1-naphthalenyl-3-oxo-)
1701-08-2 structure
Product Name:Butanamide,4,4,4-trifluoro-N-1-naphthalenyl-3-oxo-
CAS No:1701-08-2
MF:C14H10F3NO2
MW:281.229914188385
CID:194913
PubChem ID:278877
Update Time:2025-04-19
Butanamide,4,4,4-trifluoro-N-1-naphthalenyl-3-oxo- Chemical and Physical Properties
Names and Identifiers
-
- Butanamide,4,4,4-trifluoro-N-1-naphthalenyl-3-oxo-
- DTXSID30937734
- NSC128817
- 1701-08-2
- 4,4,4-Trifluoro-N-(naphthalen-1-yl)-3-oxobutanimidic acid
- NSC-128817
- 4,4,4-trifluoro-N-naphthalen-1-yl-3-oxobutanamide
- LMGAKAUDOQDDDY-UHFFFAOYSA-N
-
- Inchi： 1S/C14H10F3NO2/c15-14(16,17)12(19)8-13(20)18-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2,(H,18,20)
- InChI Key： LMGAKAUDOQDDDY-UHFFFAOYSA-N
- SMILES： FC(C(CC(NC1C=CC=C2C=CC=CC=12)=O)=O)(F)F
Computed Properties
- Exact Mass: 281.0664
- Monoisotopic Mass: 281.06636305g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 20
- Rotatable Bond Count: 3
- Complexity: 381
- 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: 3.2
- Topological Polar Surface Area: 46.2?2
Experimental Properties
- PSA: 46.17
Butanamide,4,4,4-trifluoro-N-1-naphthalenyl-3-oxo- Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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