1-(2,2-difluoroethyl)-3-methoxy-3-methylpiperidine

C9H17F2NO — CID 126986089

IUPAC1-(2,2-difluoroethyl)-3-methoxy-3-methylpiperidine
SMILESCOC1(C)CCCN(CC(F)F)C1
InChIInChI=1S/C9H17F2NO/c1-9(13-2)4-3-5-12(7-9)6-8(10)11/h8H,3-7H2,1-2H3
InChIKeyQFJXQLJYCREINE-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.75
Rot. Bonds3

About 1-(2,2-difluoroethyl)-3-methoxy-3-methylpiperidine

1-(2,2-difluoroethyl)-3-methoxy-3-methylpiperidine (PubChem CID 126986089) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-methoxy-3-methylpiperidine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-methoxy-3-methylpiperidine
PubChem CID126986089
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name1-(2,2-difluoroethyl)-3-methoxy-3-methylpiperidine
SMILESCOC1(C)CCCN(CC(F)F)C1
InChIInChI=1S/C9H17F2NO/c1-9(13-2)4-3-5-12(7-9)6-8(10)11/h8H,3-7H2,1-2H3
InChIKeyQFJXQLJYCREINE-UHFFFAOYSA-N
XLogP1.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3-methoxy-3-methylpiperidine?
The IUPAC name of 1-(2,2-difluoroethyl)-3-methoxy-3-methylpiperidine (CID 126986089) is 1-(2,2-difluoroethyl)-3-methoxy-3-methylpiperidine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-methoxy-3-methylpiperidine?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-methoxy-3-methylpiperidine is COC1(C)CCCN(CC(F)F)C1.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-methoxy-3-methylpiperidine?
The InChIKey is QFJXQLJYCREINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-9(13-2)4-3-5-12(7-9)6-8(10)11/h8H,3-7H2,1-2H3.
What are the key properties of 1-(2,2-difluoroethyl)-3-methoxy-3-methylpiperidine?
1-(2,2-difluoroethyl)-3-methoxy-3-methylpiperidine has a molecular weight of 193.24 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3-methoxy-3-methylpiperidine is sourced from PubChem (CID 126986089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).