NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
2,2,2-trifluoro-1-(piperidin-4-yl)ethan-1-one; oxalic acid
|
|
|
IUPAC Traditional name
|
2,2,2-trifluoro-1-(piperidin-4-yl)ethanone; oxalic acid
|
|
|
Synonyms
|
2,2,2-Trifluoro-1-(piperidin-4-yl)ethanone oxalate
|
4-(Trifluoroacetyl)piperidine ethane-1,2-dioate
|
1-(Piperidin-4-yl)-2,2,2-trifluoroethan-1-one oxalate
|
4-(Trifluoroacetyl)piperidine oxalate
|
|
|
CAS Number
|
|
MDL Number
|
|
PubChem SID
|
|
PubChem CID
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
|
13.07487
|
H Acceptors
|
2
|
H Donor
|
1
|
LogD (pH = 5.5)
|
-1.8798945
|
LogD (pH = 7.4)
|
-1.2254989
|
Log P
|
1.3421863
|
Molar Refractivity
|
37.6366 cm3
|
Polarizability
|
13.995296 Å3
|
Polar Surface Area
|
29.1 Å2
|
Rotatable Bonds
|
3
|
Lipinski's Rule of Five
|
true
|
PATENTS
PATENTS
PubChem Patent
Google Patent