2-(2,2-difluoropropoxymethyl)piperidine

C9H17F2NO — CID 84664726

IUPAC2-(2,2-difluoropropoxymethyl)piperidine
SMILESCC(F)(F)COCC1CCCCN1
InChIInChI=1S/C9H17F2NO/c1-9(10,11)7-13-6-8-4-2-3-5-12-8/h8,12H,2-7H2,1H3
InChIKeyUTWMNAAEZLUXFN-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.80
Rot. Bonds4

About 2-(2,2-difluoropropoxymethyl)piperidine

2-(2,2-difluoropropoxymethyl)piperidine (PubChem CID 84664726) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 2-(2,2-difluoropropoxymethyl)piperidine.

Molecular Properties

Compound Name2-(2,2-difluoropropoxymethyl)piperidine
PubChem CID84664726
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name2-(2,2-difluoropropoxymethyl)piperidine
SMILESCC(F)(F)COCC1CCCCN1
InChIInChI=1S/C9H17F2NO/c1-9(10,11)7-13-6-8-4-2-3-5-12-8/h8,12H,2-7H2,1H3
InChIKeyUTWMNAAEZLUXFN-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoropropoxymethyl)piperidine?
The IUPAC name of 2-(2,2-difluoropropoxymethyl)piperidine (CID 84664726) is 2-(2,2-difluoropropoxymethyl)piperidine.
What is the SMILES notation for 2-(2,2-difluoropropoxymethyl)piperidine?
The canonical SMILES for 2-(2,2-difluoropropoxymethyl)piperidine is CC(F)(F)COCC1CCCCN1.
What is the InChIKey of 2-(2,2-difluoropropoxymethyl)piperidine?
The InChIKey is UTWMNAAEZLUXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-9(10,11)7-13-6-8-4-2-3-5-12-8/h8,12H,2-7H2,1H3.
What are the key properties of 2-(2,2-difluoropropoxymethyl)piperidine?
2-(2,2-difluoropropoxymethyl)piperidine has a molecular weight of 193.24 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoropropoxymethyl)piperidine is sourced from PubChem (CID 84664726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).