HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.8.0
  1. Home
  2. /Compound

Perfluoromethyldiethylamine

HCID 136571
New noteNew reactionRequest quotes
Print preview
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
758-48-5
Standard SMILES
FC(F)(F)N(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIKey
KMPITNDOTGKQSE-UHFFFAOYSA-N
Molecular formula
C5F13N
Average molar mass
321.04 g/mol
Monoisotopic mass
320.9823151

Names & identifiers

Preferred name
Perfluoromethyldiethylamine
IUPAC
1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethyl)-N-(trifluoromethyl)ethanamine
English name
Perfluor-N-methyl-N,N-diethylamine
Molecular formula
C5F13N
Molecular weight
321.04

Names & synonyms

PerfluoromethyldiethylamineQZ8LSG9H5L1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethyl)-N-(trifluoromethyl)ethanamineDTXSID10226714MD-46BIS(PENTAFLUOROETHYL)(TRIFLUOROMETHYL)AMINETRIFLUOROMETHYLBIS(PENTAFLUOROETHYL)AMINEDIETHYLAMINE, 1,1,1,1,2,2,2,2,2,2-DECAFLUORO-N-(TRIFLUOROMETHYL)-ETHANAMINE, 1,1,2,2,2-PENTAFLUORO-N-(PENTAFLUOROETHYL)-N-(TRIFLUOROMETHYL)-ETHANAMINE, 1,1,2,2,2-PENTAFLUORO-N-(1,1,2,2,2-PENTAFLUOROETHYL)-N-(TRIFLUOROMETHYL)-RefChem:171668DTXCID40149205
Show more names
Perfluor-N-methyl-N,N-diethylamineEthanamine, 1,?1,?2,?2,?2-?pentafluoro-?N-?(1,?1,?2,?2,?2-?pentafluoroethyl)?-?N-?(trifluoromethyl)?-
758-48-5Perfluoro(diethylmethylamine)MFCD09970619Ethanamine,1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethyl)-N-(trifluoromethyl)-UNII-QZ8LSG9H5Lperfluorodiethyl-methylamineC5F13NSCHEMBL7628609

Database identifiers

CAS
758-48-5
PubChem CID
136571
DTXSID
DTXSID10226714
UNII
QZ8LSG9H5L
Nikkaji
J940.944K

Properties

Computed structural properties

XLogP
5.2
Topological polar surface area
3.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
14
Rotatable bonds
2
Heavy atoms
19
Formal charge
0
Complexity
291

Experimental & physicochemical properties

SpringerMaterials PropertiesBoiling point

Physicochemical properties

Boiling point
46.44 °C · 46.44°C (rough estimate)
Density
1.695 · 1.695±0.06 g/cm3(Predicted)
pka
-28.57 · -28.57±0.50(Predicted)
FDA UNII
8 LSG9H5L · QZ8LSG9H5L

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes
More actions
New noteNew reactionRequest quotes