1-(3,3,3-trifluoropropoxymethyl)piperidine;hydrochloride

C9H17ClF3NO — CID 66803484

IUPAC1-(3,3,3-trifluoropropoxymethyl)piperidine;hydrochloride
SMILESCl.FC(F)(F)CCOCN1CCCCC1
InChIInChI=1S/C9H16F3NO.ClH/c10-9(11,12)4-7-14-8-13-5-2-1-3-6-13;/h1-8H2;1H
InChIKeyGLLWYLQVARBZMT-UHFFFAOYSA-N
MW247.69 g/mol
LogP2.82
Rot. Bonds4

About 1-(3,3,3-trifluoropropoxymethyl)piperidine;hydrochloride

1-(3,3,3-trifluoropropoxymethyl)piperidine;hydrochloride (PubChem CID 66803484) has the molecular formula C9H17ClF3NO and a molecular weight of 247.69 g/mol. Its IUPAC name is 1-(3,3,3-trifluoropropoxymethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name1-(3,3,3-trifluoropropoxymethyl)piperidine;hydrochloride
PubChem CID66803484
Molecular FormulaC9H17ClF3NO
Molecular Weight247.69 g/mol
Exact Mass247.10
IUPAC Name1-(3,3,3-trifluoropropoxymethyl)piperidine;hydrochloride
SMILESCl.FC(F)(F)CCOCN1CCCCC1
InChIInChI=1S/C9H16F3NO.ClH/c10-9(11,12)4-7-14-8-13-5-2-1-3-6-13;/h1-8H2;1H
InChIKeyGLLWYLQVARBZMT-UHFFFAOYSA-N
XLogP2.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.69
LogP ≤ 52.82
H-Bond Donors ≤ 50
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 1-(3,3,3-trifluoropropoxymethyl)piperidine;hydrochloride?
The IUPAC name of 1-(3,3,3-trifluoropropoxymethyl)piperidine;hydrochloride (CID 66803484) is 1-(3,3,3-trifluoropropoxymethyl)piperidine;hydrochloride.
What is the SMILES notation for 1-(3,3,3-trifluoropropoxymethyl)piperidine;hydrochloride?
The canonical SMILES for 1-(3,3,3-trifluoropropoxymethyl)piperidine;hydrochloride is Cl.FC(F)(F)CCOCN1CCCCC1.
What is the InChIKey of 1-(3,3,3-trifluoropropoxymethyl)piperidine;hydrochloride?
The InChIKey is GLLWYLQVARBZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO.ClH/c10-9(11,12)4-7-14-8-13-5-2-1-3-6-13;/h1-8H2;1H.
What are the key properties of 1-(3,3,3-trifluoropropoxymethyl)piperidine;hydrochloride?
1-(3,3,3-trifluoropropoxymethyl)piperidine;hydrochloride has a molecular weight of 247.69 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoropropoxymethyl)piperidine;hydrochloride is sourced from PubChem (CID 66803484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).