Home Carboxys Cyclohexanecarboxylic acid, 1-(trifluoromethyl)-

Cyclohexanecarboxylic acid, 1-(trifluoromethyl)-

CAS No.:
180918-40-5
Catalog Number:
AG0022HE
Molecular Formula:
C8H11F3O2
Molecular Weight:
196.1669
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Product Description
Catalog Number:
AG0022HE
Chemical Name:
Cyclohexanecarboxylic acid, 1-(trifluoromethyl)-
CAS Number:
180918-40-5
Molecular Formula:
C8H11F3O2
Molecular Weight:
196.1669
MDL Number:
MFCD08445820
IUPAC Name:
1-(trifluoromethyl)cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C8H11F3O2/c9-8(10,11)7(6(12)13)4-2-1-3-5-7/h1-5H2,(H,12,13)
InChI Key:
VFSFTDFBHSFDEE-UHFFFAOYSA-N
SMILES:
OC(=O)C1(CCCCC1)C(F)(F)F
Properties
Complexity:
204  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.071g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
196.169g/mol
Monoisotopic Mass:
196.071g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties