4-(4,4,4-trifluorobutoxy)piperidine

C9H16F3NO — CID 115514539

IUPAC4-(4,4,4-trifluorobutoxy)piperidine
SMILESFC(F)(F)CCCOC1CCNCC1
InChIInChI=1S/C9H16F3NO/c10-9(11,12)4-1-7-14-8-2-5-13-6-3-8/h8,13H,1-7H2
InChIKeyKSWQROLIHUXGQJ-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.10
Rot. Bonds4

About 4-(4,4,4-trifluorobutoxy)piperidine

4-(4,4,4-trifluorobutoxy)piperidine (PubChem CID 115514539) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 4-(4,4,4-trifluorobutoxy)piperidine.

Molecular Properties

Compound Name4-(4,4,4-trifluorobutoxy)piperidine
PubChem CID115514539
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name4-(4,4,4-trifluorobutoxy)piperidine
SMILESFC(F)(F)CCCOC1CCNCC1
InChIInChI=1S/C9H16F3NO/c10-9(11,12)4-1-7-14-8-2-5-13-6-3-8/h8,13H,1-7H2
InChIKeyKSWQROLIHUXGQJ-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(4,4,4-trifluorobutoxy)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4,4,4-trifluorobutoxy)piperidine?
The IUPAC name of 4-(4,4,4-trifluorobutoxy)piperidine (CID 115514539) is 4-(4,4,4-trifluorobutoxy)piperidine.
What is the SMILES notation for 4-(4,4,4-trifluorobutoxy)piperidine?
The canonical SMILES for 4-(4,4,4-trifluorobutoxy)piperidine is FC(F)(F)CCCOC1CCNCC1.
What is the InChIKey of 4-(4,4,4-trifluorobutoxy)piperidine?
The InChIKey is KSWQROLIHUXGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c10-9(11,12)4-1-7-14-8-2-5-13-6-3-8/h8,13H,1-7H2.
What are the key properties of 4-(4,4,4-trifluorobutoxy)piperidine?
4-(4,4,4-trifluorobutoxy)piperidine has a molecular weight of 211.23 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4,4-trifluorobutoxy)piperidine is sourced from PubChem (CID 115514539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).