Home Other Building Blocks methyl 4-methyl-2-(trifluoromethyl)pentanoate

methyl 4-methyl-2-(trifluoromethyl)pentanoate

CAS No.:
1955522-87-8
Catalog Number:
AG01C2MB
Molecular Formula:
C8H13F3O2
Molecular Weight:
198.1828
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Product Description
Catalog Number:
AG01C2MB
Chemical Name:
methyl 4-methyl-2-(trifluoromethyl)pentanoate
CAS Number:
1955522-87-8
Molecular Formula:
C8H13F3O2
Molecular Weight:
198.1828
MDL Number:
MFCD29991265
IUPAC Name:
methyl 4-methyl-2-(trifluoromethyl)pentanoate
InChI:
InChI=1S/C8H13F3O2/c1-5(2)4-6(7(12)13-3)8(9,10)11/h5-6H,4H2,1-3H3
InChI Key:
NUUSSNKIGVFWPG-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(F)(F)F)CC(C)C
Properties
Complexity:
175  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.087g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.185g/mol
Monoisotopic Mass:
198.087g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties