HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

1-(Trifluoromethyl)piperidine

HCID 13147751
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
657-45-4
Standard SMILES
FC(F)(F)N1CCCCC1
InChIKey
DOBBROKMBMVCAE-UHFFFAOYSA-N
Molecular formula
C6H10F3N
Average molar mass
153.15 g/mol
Monoisotopic mass
153.07653381

Names & identifiers

Preferred name
1-(Trifluoromethyl)piperidine
IUPAC
1-(trifluoromethyl)piperidine

Names & synonyms

1-(Trifluoromethyl)piperidine657-45-4DTXSID10521998RefChem:227221DTXCID00472804Piperidine, 1-(trifluoromethyl)-trifluoromethylpiperidineSCHEMBL696562SCHEMBL4780181SCHEMBL5390320SCHEMBL5390323SCHEMBL8987275
Show more names
DOBBROKMBMVCAE-UHFFFAOYSA-N

Database identifiers

CAS
657-45-4
PubChem CID
13147751
DTXSID
DTXSID10521998

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
3.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
0
Heavy atoms
10
Formal charge
0
Complexity
104

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes