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1245643-16-6 | Bicyclo[2.2.2]octan-1-amine, 4-(difluoromethyl)-
CAS No: 1245643-16-6 Catalog No: AG000M8H MDL No:MFCD18374522
Product Description
Catalog Number:
AG000M8H
Chemical Name:
Bicyclo[2.2.2]octan-1-amine, 4-(difluoromethyl)-
CAS Number:
1245643-16-6
Molecular Formula:
C9H15F2N
Molecular Weight:
175.2189
MDL Number:
MFCD18374522
IUPAC Name:
4-(difluoromethyl)bicyclo[2.2.2]octan-1-amine
InChI:
InChI=1S/C9H15F2N/c10-7(11)8-1-4-9(12,5-2-8)6-3-8/h7H,1-6,12H2
InChI Key:
UCZUVCWTOKXZTK-UHFFFAOYSA-N
SMILES:
FC(C12CCC(CC1)(CC2)N)F
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.117g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.223g/mol
Monoisotopic Mass:
175.117g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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