4,4-difluoro-3-methyl-1-(oxolan-3-ylmethyl)piperidine

C11H19F2NO — CID 126780352

IUPAC4,4-difluoro-3-methyl-1-(oxolan-3-ylmethyl)piperidine
SMILESCC1CN(CC2CCOC2)CCC1(F)F
InChIInChI=1S/C11H19F2NO/c1-9-6-14(4-3-11(9,12)13)7-10-2-5-15-8-10/h9-10H,2-8H2,1H3
InChIKeyJXLHXJDCUYNULQ-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.00
Rot. Bonds2

About 4,4-difluoro-3-methyl-1-(oxolan-3-ylmethyl)piperidine

4,4-difluoro-3-methyl-1-(oxolan-3-ylmethyl)piperidine (PubChem CID 126780352) has the molecular formula C11H19F2NO and a molecular weight of 219.27 g/mol. Its IUPAC name is 4,4-difluoro-3-methyl-1-(oxolan-3-ylmethyl)piperidine.

Molecular Properties

Compound Name4,4-difluoro-3-methyl-1-(oxolan-3-ylmethyl)piperidine
PubChem CID126780352
Molecular FormulaC11H19F2NO
Molecular Weight219.27 g/mol
Exact Mass219.14
IUPAC Name4,4-difluoro-3-methyl-1-(oxolan-3-ylmethyl)piperidine
SMILESCC1CN(CC2CCOC2)CCC1(F)F
InChIInChI=1S/C11H19F2NO/c1-9-6-14(4-3-11(9,12)13)7-10-2-5-15-8-10/h9-10H,2-8H2,1H3
InChIKeyJXLHXJDCUYNULQ-UHFFFAOYSA-N
XLogP2.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.00
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-(oxolan-3-ylmethyl)piperidine?
The IUPAC name of 4,4-difluoro-3-methyl-1-(oxolan-3-ylmethyl)piperidine (CID 126780352) is 4,4-difluoro-3-methyl-1-(oxolan-3-ylmethyl)piperidine.
What is the SMILES notation for 4,4-difluoro-3-methyl-1-(oxolan-3-ylmethyl)piperidine?
The canonical SMILES for 4,4-difluoro-3-methyl-1-(oxolan-3-ylmethyl)piperidine is CC1CN(CC2CCOC2)CCC1(F)F.
What is the InChIKey of 4,4-difluoro-3-methyl-1-(oxolan-3-ylmethyl)piperidine?
The InChIKey is JXLHXJDCUYNULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO/c1-9-6-14(4-3-11(9,12)13)7-10-2-5-15-8-10/h9-10H,2-8H2,1H3.
What are the key properties of 4,4-difluoro-3-methyl-1-(oxolan-3-ylmethyl)piperidine?
4,4-difluoro-3-methyl-1-(oxolan-3-ylmethyl)piperidine has a molecular weight of 219.27 g/mol, XLogP of 2.00, 2 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-(oxolan-3-ylmethyl)piperidine is sourced from PubChem (CID 126780352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).