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Home Other Building Blocks 1-FLUORO-2,2,3,3-TETRAMETHYLCYCLOPROPANE-1-CARBOXYLIC ACID

1-FLUORO-2,2,3,3-TETRAMETHYLCYCLOPROPANE-1-CARBOXYLIC ACID

CAS No.:
1050497-15-8
Catalog Number:
AG01BI5X
Molecular Formula:
C8H13FO2
Molecular Weight:
160.1860
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Product Description
Catalog Number:
AG01BI5X
Chemical Name:
1-FLUORO-2,2,3,3-TETRAMETHYLCYCLOPROPANE-1-CARBOXYLIC ACID
CAS Number:
1050497-15-8
Molecular Formula:
C8H13FO2
Molecular Weight:
160.1860
MDL Number:
MFCD20646102
IUPAC Name:
1-fluoro-2,2,3,3-tetramethylcyclopropane-1-carboxylic acid
InChI:
InChI=1S/C8H13FO2/c1-6(2)7(3,4)8(6,9)5(10)11/h1-4H3,(H,10,11)
InChI Key:
IYDNHVXGWUUYCV-UHFFFAOYSA-N
SMILES:
OC(=O)C1(F)C(C1(C)C)(C)C
Properties
Complexity:
204  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.09g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
160.188g/mol
Monoisotopic Mass:
160.09g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
Alpha-fluoro-2,2,3,3-tetramethylcyclopropanecarboxamide, a novel potent anticonvulsant derivative of a cyclic analogue of valproic acid. Journal of medicinal chemistry 20090423
Properties