4-[4-(4,4,4-trifluorobutoxy)butyl]piperidine

C13H24F3NO — CID 143045350

IUPAC4-[4-(4,4,4-trifluorobutoxy)butyl]piperidine
SMILESFC(F)(F)CCCOCCCCC1CCNCC1
InChIInChI=1S/C13H24F3NO/c14-13(15,16)7-3-11-18-10-2-1-4-12-5-8-17-9-6-12/h12,17H,1-11H2
InChIKeySVQXEZAPUVWMJP-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.52
Rot. Bonds8

About 4-[4-(4,4,4-trifluorobutoxy)butyl]piperidine

4-[4-(4,4,4-trifluorobutoxy)butyl]piperidine (PubChem CID 143045350) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-[4-(4,4,4-trifluorobutoxy)butyl]piperidine.

Molecular Properties

Compound Name4-[4-(4,4,4-trifluorobutoxy)butyl]piperidine
PubChem CID143045350
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name4-[4-(4,4,4-trifluorobutoxy)butyl]piperidine
SMILESFC(F)(F)CCCOCCCCC1CCNCC1
InChIInChI=1S/C13H24F3NO/c14-13(15,16)7-3-11-18-10-2-1-4-12-5-8-17-9-6-12/h12,17H,1-11H2
InChIKeySVQXEZAPUVWMJP-UHFFFAOYSA-N
XLogP3.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.52
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

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4-[3-(4,4,4-Trifluorobutoxy)propyl]piperidine
CID 143045251
4-Fluoro-1-oxa-9-azaspiro[5.5]undecane
CID 146273106
3,3-Difluoro-4-[1-(oxan-3-yl)propan-2-yl]pyrrolidine
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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4,4,4-trifluorobutoxy)butyl]piperidine?
The IUPAC name of 4-[4-(4,4,4-trifluorobutoxy)butyl]piperidine (CID 143045350) is 4-[4-(4,4,4-trifluorobutoxy)butyl]piperidine.
What is the SMILES notation for 4-[4-(4,4,4-trifluorobutoxy)butyl]piperidine?
The canonical SMILES for 4-[4-(4,4,4-trifluorobutoxy)butyl]piperidine is FC(F)(F)CCCOCCCCC1CCNCC1.
What is the InChIKey of 4-[4-(4,4,4-trifluorobutoxy)butyl]piperidine?
The InChIKey is SVQXEZAPUVWMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c14-13(15,16)7-3-11-18-10-2-1-4-12-5-8-17-9-6-12/h12,17H,1-11H2.
What are the key properties of 4-[4-(4,4,4-trifluorobutoxy)butyl]piperidine?
4-[4-(4,4,4-trifluorobutoxy)butyl]piperidine has a molecular weight of 267.33 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4,4,4-trifluorobutoxy)butyl]piperidine is sourced from PubChem (CID 143045350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).