4-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine

C9H16F3NO — CID 29077851

IUPAC4-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine
SMILESFC(F)(F)COCCC1CCNCC1
InChIInChI=1S/C9H16F3NO/c10-9(11,12)7-14-6-3-8-1-4-13-5-2-8/h8,13H,1-7H2
InChIKeyMXWPCCKFTGLBFB-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.96
Rot. Bonds4

About 4-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine

4-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine (PubChem CID 29077851) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 4-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine.

Molecular Properties

Compound Name4-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine
PubChem CID29077851
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name4-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine
SMILESFC(F)(F)COCCC1CCNCC1
InChIInChI=1S/C9H16F3NO/c10-9(11,12)7-14-6-3-8-1-4-13-5-2-8/h8,13H,1-7H2
InChIKeyMXWPCCKFTGLBFB-UHFFFAOYSA-N
XLogP1.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-Methoxyethyl)piperidine
CID 15172754
Methyl(2-(oxan-4-yl)ethyl)amine
CID 20719713
4-((2,2,2-Trifluoroethoxy)methyl)piperidine hydrochloride
CID 45791781
3-[(Difluoromethoxy)methyl]piperidine
CID 58495767
4-((Difluoromethoxy)methyl)piperidine
CID 84717020
3-[(Trifluoromethoxy)methyl]piperidine hydrochloride
CID 122652188
3-[(Cyclopropylmethoxy)methyl]-4,4-difluoropiperidine
CID 124051189
6,6-Difluoro-2-oxa-8-azaspiro[4.5]decane
CID 21955266
4-[(2,2,2-Trifluoroethoxy)methyl]piperidine
CID 24711278
4-[2-(2-Fluoroethoxy)ethyl]piperidine
CID 56829866
2,2,2-trifluoro-N-(oxan-4-ylmethyl)ethanamine
CID 61269934
4-(3,3,3-Trifluoropropoxymethyl)piperidine
CID 64567962

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine?
The IUPAC name of 4-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine (CID 29077851) is 4-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine.
What is the SMILES notation for 4-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine?
The canonical SMILES for 4-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine is FC(F)(F)COCCC1CCNCC1.
What is the InChIKey of 4-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine?
The InChIKey is MXWPCCKFTGLBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c10-9(11,12)7-14-6-3-8-1-4-13-5-2-8/h8,13H,1-7H2.
What are the key properties of 4-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine?
4-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine has a molecular weight of 211.23 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine is sourced from PubChem (CID 29077851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).