4,4-difluoro-3-methyl-1-(oxetan-3-yl)piperidine

C9H15F2NO — CID 129270060

IUPAC4,4-difluoro-3-methyl-1-(oxetan-3-yl)piperidine
SMILESCC1CN(C2COC2)CCC1(F)F
InChIInChI=1S/C9H15F2NO/c1-7-4-12(8-5-13-6-8)3-2-9(7,10)11/h7-8H,2-6H2,1H3
InChIKeyMMLWMXSLXAOWJV-UHFFFAOYSA-N
MW191.22 g/mol
LogP1.36
Rot. Bonds1

About 4,4-difluoro-3-methyl-1-(oxetan-3-yl)piperidine

4,4-difluoro-3-methyl-1-(oxetan-3-yl)piperidine (PubChem CID 129270060) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is 4,4-difluoro-3-methyl-1-(oxetan-3-yl)piperidine.

Molecular Properties

Compound Name4,4-difluoro-3-methyl-1-(oxetan-3-yl)piperidine
PubChem CID129270060
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC Name4,4-difluoro-3-methyl-1-(oxetan-3-yl)piperidine
SMILESCC1CN(C2COC2)CCC1(F)F
InChIInChI=1S/C9H15F2NO/c1-7-4-12(8-5-13-6-8)3-2-9(7,10)11/h7-8H,2-6H2,1H3
InChIKeyMMLWMXSLXAOWJV-UHFFFAOYSA-N
XLogP1.36
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-3-methyl-1-(oxetan-3-yl)piperidine?
The IUPAC name of 4,4-difluoro-3-methyl-1-(oxetan-3-yl)piperidine (CID 129270060) is 4,4-difluoro-3-methyl-1-(oxetan-3-yl)piperidine.
What is the SMILES notation for 4,4-difluoro-3-methyl-1-(oxetan-3-yl)piperidine?
The canonical SMILES for 4,4-difluoro-3-methyl-1-(oxetan-3-yl)piperidine is CC1CN(C2COC2)CCC1(F)F.
What is the InChIKey of 4,4-difluoro-3-methyl-1-(oxetan-3-yl)piperidine?
The InChIKey is MMLWMXSLXAOWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO/c1-7-4-12(8-5-13-6-8)3-2-9(7,10)11/h7-8H,2-6H2,1H3.
What are the key properties of 4,4-difluoro-3-methyl-1-(oxetan-3-yl)piperidine?
4,4-difluoro-3-methyl-1-(oxetan-3-yl)piperidine has a molecular weight of 191.22 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-3-methyl-1-(oxetan-3-yl)piperidine is sourced from PubChem (CID 129270060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).