3-[1-fluoro-1-(oxolan-3-yl)ethyl]piperidine

C11H20FNO — CID 112564891

IUPAC3-[1-fluoro-1-(oxolan-3-yl)ethyl]piperidine
SMILESCC(F)(C1CCCNC1)C1CCOC1
InChIInChI=1S/C11H20FNO/c1-11(12,10-4-6-14-8-10)9-3-2-5-13-7-9/h9-10,13H,2-8H2,1H3
InChIKeyRBTNPDUKLGFJPO-UHFFFAOYSA-N
MW201.28 g/mol
LogP1.75
Rot. Bonds2

About 3-[1-fluoro-1-(oxolan-3-yl)ethyl]piperidine

3-[1-fluoro-1-(oxolan-3-yl)ethyl]piperidine (PubChem CID 112564891) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is 3-[1-fluoro-1-(oxolan-3-yl)ethyl]piperidine.

Molecular Properties

Compound Name3-[1-fluoro-1-(oxolan-3-yl)ethyl]piperidine
PubChem CID112564891
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC Name3-[1-fluoro-1-(oxolan-3-yl)ethyl]piperidine
SMILESCC(F)(C1CCCNC1)C1CCOC1
InChIInChI=1S/C11H20FNO/c1-11(12,10-4-6-14-8-10)9-3-2-5-13-7-9/h9-10,13H,2-8H2,1H3
InChIKeyRBTNPDUKLGFJPO-UHFFFAOYSA-N
XLogP1.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-fluoro-1-(oxolan-3-yl)ethyl]piperidine?
The IUPAC name of 3-[1-fluoro-1-(oxolan-3-yl)ethyl]piperidine (CID 112564891) is 3-[1-fluoro-1-(oxolan-3-yl)ethyl]piperidine.
What is the SMILES notation for 3-[1-fluoro-1-(oxolan-3-yl)ethyl]piperidine?
The canonical SMILES for 3-[1-fluoro-1-(oxolan-3-yl)ethyl]piperidine is CC(F)(C1CCCNC1)C1CCOC1.
What is the InChIKey of 3-[1-fluoro-1-(oxolan-3-yl)ethyl]piperidine?
The InChIKey is RBTNPDUKLGFJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO/c1-11(12,10-4-6-14-8-10)9-3-2-5-13-7-9/h9-10,13H,2-8H2,1H3.
What are the key properties of 3-[1-fluoro-1-(oxolan-3-yl)ethyl]piperidine?
3-[1-fluoro-1-(oxolan-3-yl)ethyl]piperidine has a molecular weight of 201.28 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-fluoro-1-(oxolan-3-yl)ethyl]piperidine is sourced from PubChem (CID 112564891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).