4-(2,2-difluoropropoxy)piperidine

C8H15F2NO — CID 66696136

IUPAC4-(2,2-difluoropropoxy)piperidine
SMILESCC(F)(F)COC1CCNCC1
InChIInChI=1S/C8H15F2NO/c1-8(9,10)6-12-7-2-4-11-5-3-7/h7,11H,2-6H2,1H3
InChIKeyJIRDTVWKYCUKHP-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.41
Rot. Bonds3

About 4-(2,2-difluoropropoxy)piperidine

4-(2,2-difluoropropoxy)piperidine (PubChem CID 66696136) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 4-(2,2-difluoropropoxy)piperidine.

Molecular Properties

Compound Name4-(2,2-difluoropropoxy)piperidine
PubChem CID66696136
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name4-(2,2-difluoropropoxy)piperidine
SMILESCC(F)(F)COC1CCNCC1
InChIInChI=1S/C8H15F2NO/c1-8(9,10)6-12-7-2-4-11-5-3-7/h7,11H,2-6H2,1H3
InChIKeyJIRDTVWKYCUKHP-UHFFFAOYSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoropropoxy)piperidine?
The IUPAC name of 4-(2,2-difluoropropoxy)piperidine (CID 66696136) is 4-(2,2-difluoropropoxy)piperidine.
What is the SMILES notation for 4-(2,2-difluoropropoxy)piperidine?
The canonical SMILES for 4-(2,2-difluoropropoxy)piperidine is CC(F)(F)COC1CCNCC1.
What is the InChIKey of 4-(2,2-difluoropropoxy)piperidine?
The InChIKey is JIRDTVWKYCUKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-8(9,10)6-12-7-2-4-11-5-3-7/h7,11H,2-6H2,1H3.
What are the key properties of 4-(2,2-difluoropropoxy)piperidine?
4-(2,2-difluoropropoxy)piperidine has a molecular weight of 179.21 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoropropoxy)piperidine is sourced from PubChem (CID 66696136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).