CID 28903888
PubChem CID
28903888
Structure
Molecular Formula
Status
Non-live
Molecular Weight
236.33 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
1-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-4-fluorobenzene-1,2-diamine
InChI=1S/C14H21FN2/c1-9-4-3-5-13(10(9)2)17-14-7-6-11(15)8-12(14)16/h6-10,13,17H,3-5,16H2,1-2H3/t9-,10-,13-/m1/s1
BKTKZFOLRUSEQQ-GIPNMCIBSA-N
C[C@@H]1CCC[C@H]([C@@H]1C)NC2=C(C=C(C=C2)F)N
C14H21FN2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
236.33 g/mol
Property Name
XLogP3-AA
Property Value
4
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
2
Property Name
Exact Mass
Property Value
236.16887684 g/mol
Property Name
Monoisotopic Mass
Property Value
236.16887684 g/mol
Property Name
Topological Polar Surface Area
Property Value
38.1 A^2
Property Name
Heavy Atom Count
Property Value
17
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
246
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
3
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS