3-(difluoromethoxy)piperidine

C6H11F2NO — CID 47003318

IUPAC3-(difluoromethoxy)piperidine
SMILESFC(F)OC1CCCNC1
InChIInChI=1S/C6H11F2NO/c7-6(8)10-5-2-1-3-9-4-5/h5-6,9H,1-4H2
InChIKeyRFLBTFBEDGNWFK-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.98
Rot. Bonds2

About 3-(difluoromethoxy)piperidine

3-(difluoromethoxy)piperidine (PubChem CID 47003318) has the molecular formula C6H11F2NO and a molecular weight of 151.16 g/mol. Its IUPAC name is 3-(difluoromethoxy)piperidine.

Molecular Properties

Compound Name3-(difluoromethoxy)piperidine
PubChem CID47003318
Molecular FormulaC6H11F2NO
Molecular Weight151.16 g/mol
Exact Mass151.08
IUPAC Name3-(difluoromethoxy)piperidine
SMILESFC(F)OC1CCCNC1
InChIInChI=1S/C6H11F2NO/c7-6(8)10-5-2-1-3-9-4-5/h5-6,9H,1-4H2
InChIKeyRFLBTFBEDGNWFK-UHFFFAOYSA-N
XLogP0.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)piperidine?
The IUPAC name of 3-(difluoromethoxy)piperidine (CID 47003318) is 3-(difluoromethoxy)piperidine.
What is the SMILES notation for 3-(difluoromethoxy)piperidine?
The canonical SMILES for 3-(difluoromethoxy)piperidine is FC(F)OC1CCCNC1.
What is the InChIKey of 3-(difluoromethoxy)piperidine?
The InChIKey is RFLBTFBEDGNWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO/c7-6(8)10-5-2-1-3-9-4-5/h5-6,9H,1-4H2.
What are the key properties of 3-(difluoromethoxy)piperidine?
3-(difluoromethoxy)piperidine has a molecular weight of 151.16 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)piperidine is sourced from PubChem (CID 47003318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).