4-[3-(4,4,4-trifluorobutoxy)propyl]piperidine

C12H22F3NO — CID 143045251

IUPAC4-[3-(4,4,4-trifluorobutoxy)propyl]piperidine
SMILESFC(F)(F)CCCOCCCC1CCNCC1
InChIInChI=1S/C12H22F3NO/c13-12(14,15)6-2-10-17-9-1-3-11-4-7-16-8-5-11/h11,16H,1-10H2
InChIKeyYWABTSGCMSLYJG-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.13
Rot. Bonds7

About 4-[3-(4,4,4-trifluorobutoxy)propyl]piperidine

4-[3-(4,4,4-trifluorobutoxy)propyl]piperidine (PubChem CID 143045251) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-[3-(4,4,4-trifluorobutoxy)propyl]piperidine.

Molecular Properties

Compound Name4-[3-(4,4,4-trifluorobutoxy)propyl]piperidine
PubChem CID143045251
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name4-[3-(4,4,4-trifluorobutoxy)propyl]piperidine
SMILESFC(F)(F)CCCOCCCC1CCNCC1
InChIInChI=1S/C12H22F3NO/c13-12(14,15)6-2-10-17-9-1-3-11-4-7-16-8-5-11/h11,16H,1-10H2
InChIKeyYWABTSGCMSLYJG-UHFFFAOYSA-N
XLogP3.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.13
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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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4,4,4-trifluorobutoxy)propyl]piperidine?
The IUPAC name of 4-[3-(4,4,4-trifluorobutoxy)propyl]piperidine (CID 143045251) is 4-[3-(4,4,4-trifluorobutoxy)propyl]piperidine.
What is the SMILES notation for 4-[3-(4,4,4-trifluorobutoxy)propyl]piperidine?
The canonical SMILES for 4-[3-(4,4,4-trifluorobutoxy)propyl]piperidine is FC(F)(F)CCCOCCCC1CCNCC1.
What is the InChIKey of 4-[3-(4,4,4-trifluorobutoxy)propyl]piperidine?
The InChIKey is YWABTSGCMSLYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c13-12(14,15)6-2-10-17-9-1-3-11-4-7-16-8-5-11/h11,16H,1-10H2.
What are the key properties of 4-[3-(4,4,4-trifluorobutoxy)propyl]piperidine?
4-[3-(4,4,4-trifluorobutoxy)propyl]piperidine has a molecular weight of 253.31 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4,4,4-trifluorobutoxy)propyl]piperidine is sourced from PubChem (CID 143045251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).