4-(3,3,3-trifluoropropoxymethyl)piperidine

C9H16F3NO — CID 64567962

IUPAC4-(3,3,3-trifluoropropoxymethyl)piperidine
SMILESFC(F)(F)CCOCC1CCNCC1
InChIInChI=1S/C9H16F3NO/c10-9(11,12)3-6-14-7-8-1-4-13-5-2-8/h8,13H,1-7H2
InChIKeyLCNVVSKNJMMDSM-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.96
Rot. Bonds4

About 4-(3,3,3-trifluoropropoxymethyl)piperidine

4-(3,3,3-trifluoropropoxymethyl)piperidine (PubChem CID 64567962) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 4-(3,3,3-trifluoropropoxymethyl)piperidine.

Molecular Properties

Compound Name4-(3,3,3-trifluoropropoxymethyl)piperidine
PubChem CID64567962
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name4-(3,3,3-trifluoropropoxymethyl)piperidine
SMILESFC(F)(F)CCOCC1CCNCC1
InChIInChI=1S/C9H16F3NO/c10-9(11,12)3-6-14-7-8-1-4-13-5-2-8/h8,13H,1-7H2
InChIKeyLCNVVSKNJMMDSM-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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Frequently Asked Questions

What is the IUPAC name of 4-(3,3,3-trifluoropropoxymethyl)piperidine?
The IUPAC name of 4-(3,3,3-trifluoropropoxymethyl)piperidine (CID 64567962) is 4-(3,3,3-trifluoropropoxymethyl)piperidine.
What is the SMILES notation for 4-(3,3,3-trifluoropropoxymethyl)piperidine?
The canonical SMILES for 4-(3,3,3-trifluoropropoxymethyl)piperidine is FC(F)(F)CCOCC1CCNCC1.
What is the InChIKey of 4-(3,3,3-trifluoropropoxymethyl)piperidine?
The InChIKey is LCNVVSKNJMMDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c10-9(11,12)3-6-14-7-8-1-4-13-5-2-8/h8,13H,1-7H2.
What are the key properties of 4-(3,3,3-trifluoropropoxymethyl)piperidine?
4-(3,3,3-trifluoropropoxymethyl)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-(3,3,3-trifluoropropoxymethyl)piperidine is sourced from PubChem (CID 64567962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).