4-ethyl-1-(2,2,2-trifluoroethyl)piperidine

C9H16F3N — CID 23381152

IUPAC4-ethyl-1-(2,2,2-trifluoroethyl)piperidine
SMILESCCC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C9H16F3N/c1-2-8-3-5-13(6-4-8)7-9(10,11)12/h8H,2-7H2,1H3
InChIKeyYOAPPYKVYWGHRM-UHFFFAOYSA-N
MW195.23 g/mol
LogP2.67
Rot. Bonds2

About 4-ethyl-1-(2,2,2-trifluoroethyl)piperidine

4-ethyl-1-(2,2,2-trifluoroethyl)piperidine (PubChem CID 23381152) has the molecular formula C9H16F3N and a molecular weight of 195.23 g/mol. Its IUPAC name is 4-ethyl-1-(2,2,2-trifluoroethyl)piperidine.

Molecular Properties

Compound Name4-ethyl-1-(2,2,2-trifluoroethyl)piperidine
PubChem CID23381152
Molecular FormulaC9H16F3N
Molecular Weight195.23 g/mol
Exact Mass195.12
IUPAC Name4-ethyl-1-(2,2,2-trifluoroethyl)piperidine
SMILESCCC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C9H16F3N/c1-2-8-3-5-13(6-4-8)7-9(10,11)12/h8H,2-7H2,1H3
InChIKeyYOAPPYKVYWGHRM-UHFFFAOYSA-N
XLogP2.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(2,2,2-trifluoroethyl)piperidine?
The IUPAC name of 4-ethyl-1-(2,2,2-trifluoroethyl)piperidine (CID 23381152) is 4-ethyl-1-(2,2,2-trifluoroethyl)piperidine.
What is the SMILES notation for 4-ethyl-1-(2,2,2-trifluoroethyl)piperidine?
The canonical SMILES for 4-ethyl-1-(2,2,2-trifluoroethyl)piperidine is CCC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 4-ethyl-1-(2,2,2-trifluoroethyl)piperidine?
The InChIKey is YOAPPYKVYWGHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N/c1-2-8-3-5-13(6-4-8)7-9(10,11)12/h8H,2-7H2,1H3.
What are the key properties of 4-ethyl-1-(2,2,2-trifluoroethyl)piperidine?
4-ethyl-1-(2,2,2-trifluoroethyl)piperidine has a molecular weight of 195.23 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(2,2,2-trifluoroethyl)piperidine is sourced from PubChem (CID 23381152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).