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14115-48-1 | 1-Butyne, 4,4,4-trifluoro-3,3-bis(trifluoromethyl)-
CAS No: 14115-48-1 Catalog No: AG001G09 MDL No:
Product Description
Catalog Number:
AG001G09
Chemical Name:
1-Butyne, 4,4,4-trifluoro-3,3-bis(trifluoromethyl)-
CAS Number:
14115-48-1
Molecular Formula:
C6HF9
Molecular Weight:
244.0578
IUPAC Name:
4,4,4-trifluoro-3,3-bis(trifluoromethyl)but-1-yne
InChI:
InChI=1S/C6HF9/c1-2-3(4(7,8)9,5(10,11)12)6(13,14)15/h1H
InChI Key:
IAVPFYFZUPGGFJ-UHFFFAOYSA-N
SMILES:
C#CC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.993g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.06g/mol
Monoisotopic Mass:
243.993g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Literature
| Title | Journal |
|---|---|
| A nonafluoro nucleoside as a sensitive 19f NMR probe of nucleic acid conformation. | Organic letters 20080703 |
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