CID 39356331
PubChem CID
39356331
Structure
Molecular Formula
Status
Non-live
Molecular Weight
254.32 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
cyclopentyl-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]azanium
InChI=1S/C14H20FNO2/c15-13-7-3-4-8-14(13)18-10-12(17)9-16-11-5-1-2-6-11/h3-4,7-8,11-12,16-17H,1-2,5-6,9-10H2/p+1/t12-/m0/s1
BXFIYARLJQLAAJ-LBPRGKRZSA-O
C1CCC(C1)[NH2+]C[C@@H](COC2=CC=CC=C2F)O
C14H21FNO2+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
254.32 g/mol
Property Name
XLogP3-AA
Property Value
2.2
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
6
Property Name
Exact Mass
Property Value
254.15563207 g/mol
Property Name
Monoisotopic Mass
Property Value
254.15563207 g/mol
Property Name
Topological Polar Surface Area
Property Value
46.1 A^2
Property Name
Heavy Atom Count
Property Value
18
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
234
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
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