Home Other Building Blocks 2,4,4,4-tetrafluoro-3-methylbutanoic acid

2,4,4,4-tetrafluoro-3-methylbutanoic acid

CAS No.:
2140726-52-7
Catalog Number:
AG01EKSP
Molecular Formula:
C5H6F4O2
Molecular Weight:
174.0936
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Product Description
Catalog Number:
AG01EKSP
Chemical Name:
2,4,4,4-tetrafluoro-3-methylbutanoic acid
CAS Number:
2140726-52-7
Molecular Formula:
C5H6F4O2
Molecular Weight:
174.0936
MDL Number:
MFCD30678457
IUPAC Name:
2,4,4,4-tetrafluoro-3-methylbutanoic acid
InChI:
InChI=1S/C5H6F4O2/c1-2(5(7,8)9)3(6)4(10)11/h2-3H,1H3,(H,10,11)
InChI Key:
KNYZBANUFNXXRD-UHFFFAOYSA-N
SMILES:
OC(=O)C(C(C(F)(F)F)C)F
Properties
Complexity:
153  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.03g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
174.095g/mol
Monoisotopic Mass:
174.03g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties