Home Other Building Blocks 4,4-difluoro-2-methylbutanoic acid

4,4-difluoro-2-methylbutanoic acid

CAS No.:
1010422-68-0
Catalog Number:
AG01B9IC
Molecular Formula:
C5H8F2O2
Molecular Weight:
138.1126
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Product Description
Catalog Number:
AG01B9IC
Chemical Name:
4,4-difluoro-2-methylbutanoic acid
CAS Number:
1010422-68-0
Molecular Formula:
C5H8F2O2
Molecular Weight:
138.1126
MDL Number:
MFCD12024565
IUPAC Name:
4,4-difluoro-2-methylbutanoic acid
InChI:
InChI=1S/C5H8F2O2/c1-3(5(8)9)2-4(6)7/h3-4H,2H2,1H3,(H,8,9)
InChI Key:
FQJMZYJZHKJOHM-UHFFFAOYSA-N
SMILES:
CC(C(=O)O)CC(F)F
Properties
Complexity:
103  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.049g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
138.114g/mol
Monoisotopic Mass:
138.049g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties