Home Carboxys 1-amino-4-(difluoromethyl)cyclohexane-1-carboxylic acid

1-amino-4-(difluoromethyl)cyclohexane-1-carboxylic acid

CAS No.:
1955558-05-0
Catalog Number:
AG01B5Q6
Molecular Formula:
C8H13F2NO2
Molecular Weight:
193.1911
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Product Description
Catalog Number:
AG01B5Q6
Chemical Name:
1-amino-4-(difluoromethyl)cyclohexane-1-carboxylic acid
CAS Number:
1955558-05-0
Molecular Formula:
C8H13F2NO2
Molecular Weight:
193.1911
MDL Number:
MFCD30181197
IUPAC Name:
1-amino-4-(difluoromethyl)cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C8H13F2NO2/c9-6(10)5-1-3-8(11,4-2-5)7(12)13/h5-6H,1-4,11H2,(H,12,13)
InChI Key:
RFFBTRJCJIMMRO-UHFFFAOYSA-N
SMILES:
FC(C1CCC(CC1)(N)C(=O)O)F
Properties
Complexity:
200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.091g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
193.194g/mol
Monoisotopic Mass:
193.091g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1  
Properties