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458566-84-2 | 4,4-Difluorocyclohexanamine
CAS No: 458566-84-2 Catalog No: AG003KFA MDL No:MFCD06409984
Product Description
Catalog Number:
AG003KFA
Chemical Name:
4,4-Difluorocyclohexanamine
CAS Number:
458566-84-2
Molecular Formula:
C6H11F2N
Molecular Weight:
135.1550
MDL Number:
MFCD06409984
IUPAC Name:
4,4-difluorocyclohexan-1-amine
InChI:
InChI=1S/C6H11F2N/c7-6(8)3-1-5(9)2-4-6/h5H,1-4,9H2
InChI Key:
MQOFXVWAFFJFJH-UHFFFAOYSA-N
SMILES:
NC1CCC(CC1)(F)F
Properties
Complexity:
93.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.086g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
135.158g/mol
Monoisotopic Mass:
135.086g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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