2-(butan-2-yloxymethyl)-5,5-difluoro-1-methylpiperidine

C11H21F2NO — CID 176927803

IUPAC2-(butan-2-yloxymethyl)-5,5-difluoro-1-methylpiperidine
SMILESCCC(C)OCC1CCC(F)(F)CN1C
InChIInChI=1S/C11H21F2NO/c1-4-9(2)15-7-10-5-6-11(12,13)8-14(10)3/h9-10H,4-8H2,1-3H3
InChIKeyRTGLJDFKSPGAIX-UHFFFAOYSA-N
MW221.29 g/mol
LogP2.53
Rot. Bonds4

About 2-(butan-2-yloxymethyl)-5,5-difluoro-1-methylpiperidine

2-(butan-2-yloxymethyl)-5,5-difluoro-1-methylpiperidine (PubChem CID 176927803) has the molecular formula C11H21F2NO and a molecular weight of 221.29 g/mol. Its IUPAC name is 2-(butan-2-yloxymethyl)-5,5-difluoro-1-methylpiperidine.

Molecular Properties

Compound Name2-(butan-2-yloxymethyl)-5,5-difluoro-1-methylpiperidine
PubChem CID176927803
Molecular FormulaC11H21F2NO
Molecular Weight221.29 g/mol
Exact Mass221.16
IUPAC Name2-(butan-2-yloxymethyl)-5,5-difluoro-1-methylpiperidine
SMILESCCC(C)OCC1CCC(F)(F)CN1C
InChIInChI=1S/C11H21F2NO/c1-4-9(2)15-7-10-5-6-11(12,13)8-14(10)3/h9-10H,4-8H2,1-3H3
InChIKeyRTGLJDFKSPGAIX-UHFFFAOYSA-N
XLogP2.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-yloxymethyl)-5,5-difluoro-1-methylpiperidine?
The IUPAC name of 2-(butan-2-yloxymethyl)-5,5-difluoro-1-methylpiperidine (CID 176927803) is 2-(butan-2-yloxymethyl)-5,5-difluoro-1-methylpiperidine.
What is the SMILES notation for 2-(butan-2-yloxymethyl)-5,5-difluoro-1-methylpiperidine?
The canonical SMILES for 2-(butan-2-yloxymethyl)-5,5-difluoro-1-methylpiperidine is CCC(C)OCC1CCC(F)(F)CN1C.
What is the InChIKey of 2-(butan-2-yloxymethyl)-5,5-difluoro-1-methylpiperidine?
The InChIKey is RTGLJDFKSPGAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO/c1-4-9(2)15-7-10-5-6-11(12,13)8-14(10)3/h9-10H,4-8H2,1-3H3.
What are the key properties of 2-(butan-2-yloxymethyl)-5,5-difluoro-1-methylpiperidine?
2-(butan-2-yloxymethyl)-5,5-difluoro-1-methylpiperidine has a molecular weight of 221.29 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-yloxymethyl)-5,5-difluoro-1-methylpiperidine is sourced from PubChem (CID 176927803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).