2-(3,3-difluorobutoxymethyl)piperidine

C10H19F2NO — CID 84675199

IUPAC2-(3,3-difluorobutoxymethyl)piperidine
SMILESCC(F)(F)CCOCC1CCCCN1
InChIInChI=1S/C10H19F2NO/c1-10(11,12)5-7-14-8-9-4-2-3-6-13-9/h9,13H,2-8H2,1H3
InChIKeyNAELQJBYTJSPIT-UHFFFAOYSA-N
MW207.26 g/mol
LogP2.19
Rot. Bonds5

About 2-(3,3-difluorobutoxymethyl)piperidine

2-(3,3-difluorobutoxymethyl)piperidine (PubChem CID 84675199) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 2-(3,3-difluorobutoxymethyl)piperidine.

Molecular Properties

Compound Name2-(3,3-difluorobutoxymethyl)piperidine
PubChem CID84675199
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name2-(3,3-difluorobutoxymethyl)piperidine
SMILESCC(F)(F)CCOCC1CCCCN1
InChIInChI=1S/C10H19F2NO/c1-10(11,12)5-7-14-8-9-4-2-3-6-13-9/h9,13H,2-8H2,1H3
InChIKeyNAELQJBYTJSPIT-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.19
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 2-(3,3-difluorobutoxymethyl)piperidine?
The IUPAC name of 2-(3,3-difluorobutoxymethyl)piperidine (CID 84675199) is 2-(3,3-difluorobutoxymethyl)piperidine.
What is the SMILES notation for 2-(3,3-difluorobutoxymethyl)piperidine?
The canonical SMILES for 2-(3,3-difluorobutoxymethyl)piperidine is CC(F)(F)CCOCC1CCCCN1.
What is the InChIKey of 2-(3,3-difluorobutoxymethyl)piperidine?
The InChIKey is NAELQJBYTJSPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-10(11,12)5-7-14-8-9-4-2-3-6-13-9/h9,13H,2-8H2,1H3.
What are the key properties of 2-(3,3-difluorobutoxymethyl)piperidine?
2-(3,3-difluorobutoxymethyl)piperidine has a molecular weight of 207.26 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorobutoxymethyl)piperidine is sourced from PubChem (CID 84675199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).