(3S)-3-ethyl-1-(2,2,2-trifluoroethyl)piperidine

C9H16F3N — CID 70644623

IUPAC(3S)-3-ethyl-1-(2,2,2-trifluoroethyl)piperidine
SMILESCC[C@H]1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C9H16F3N/c1-2-8-4-3-5-13(6-8)7-9(10,11)12/h8H,2-7H2,1H3/t8-/m0/s1
InChIKeyAVGKJJMDPQWFAL-QMMMGPOBSA-N
MW195.23 g/mol
LogP2.67
Rot. Bonds2

About (3S)-3-ethyl-1-(2,2,2-trifluoroethyl)piperidine

(3S)-3-ethyl-1-(2,2,2-trifluoroethyl)piperidine (PubChem CID 70644623) has the molecular formula C9H16F3N and a molecular weight of 195.23 g/mol. Its IUPAC name is (3S)-3-ethyl-1-(2,2,2-trifluoroethyl)piperidine.

Molecular Properties

Compound Name(3S)-3-ethyl-1-(2,2,2-trifluoroethyl)piperidine
PubChem CID70644623
Molecular FormulaC9H16F3N
Molecular Weight195.23 g/mol
Exact Mass195.12
IUPAC Name(3S)-3-ethyl-1-(2,2,2-trifluoroethyl)piperidine
SMILESCC[C@H]1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C9H16F3N/c1-2-8-4-3-5-13(6-8)7-9(10,11)12/h8H,2-7H2,1H3/t8-/m0/s1
InChIKeyAVGKJJMDPQWFAL-QMMMGPOBSA-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 (3S)-3-ethyl-1-(2,2,2-trifluoroethyl)piperidine?
The IUPAC name of (3S)-3-ethyl-1-(2,2,2-trifluoroethyl)piperidine (CID 70644623) is (3S)-3-ethyl-1-(2,2,2-trifluoroethyl)piperidine.
What is the SMILES notation for (3S)-3-ethyl-1-(2,2,2-trifluoroethyl)piperidine?
The canonical SMILES for (3S)-3-ethyl-1-(2,2,2-trifluoroethyl)piperidine is CC[C@H]1CCCN(CC(F)(F)F)C1.
What is the InChIKey of (3S)-3-ethyl-1-(2,2,2-trifluoroethyl)piperidine?
The InChIKey is AVGKJJMDPQWFAL-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H16F3N/c1-2-8-4-3-5-13(6-8)7-9(10,11)12/h8H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of (3S)-3-ethyl-1-(2,2,2-trifluoroethyl)piperidine?
(3S)-3-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 (3S)-3-ethyl-1-(2,2,2-trifluoroethyl)piperidine is sourced from PubChem (CID 70644623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).