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

C10H17F2NO — CID 138617821

IUPAC3-ethyl-4,4-difluoro-1-(oxetan-3-yl)piperidine
SMILESCCC1CN(C2COC2)CCC1(F)F
InChIInChI=1S/C10H17F2NO/c1-2-8-5-13(9-6-14-7-9)4-3-10(8,11)12/h8-9H,2-7H2,1H3
InChIKeyCWSHYSZEQKANGV-UHFFFAOYSA-N
MW205.25 g/mol
LogP1.75
Rot. Bonds2

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

3-ethyl-4,4-difluoro-1-(oxetan-3-yl)piperidine (PubChem CID 138617821) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is 3-ethyl-4,4-difluoro-1-(oxetan-3-yl)piperidine.

Molecular Properties

Compound Name3-ethyl-4,4-difluoro-1-(oxetan-3-yl)piperidine
PubChem CID138617821
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name3-ethyl-4,4-difluoro-1-(oxetan-3-yl)piperidine
SMILESCCC1CN(C2COC2)CCC1(F)F
InChIInChI=1S/C10H17F2NO/c1-2-8-5-13(9-6-14-7-9)4-3-10(8,11)12/h8-9H,2-7H2,1H3
InChIKeyCWSHYSZEQKANGV-UHFFFAOYSA-N
XLogP1.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4,4-difluoro-1-(oxetan-3-yl)piperidine?
The IUPAC name of 3-ethyl-4,4-difluoro-1-(oxetan-3-yl)piperidine (CID 138617821) is 3-ethyl-4,4-difluoro-1-(oxetan-3-yl)piperidine.
What is the SMILES notation for 3-ethyl-4,4-difluoro-1-(oxetan-3-yl)piperidine?
The canonical SMILES for 3-ethyl-4,4-difluoro-1-(oxetan-3-yl)piperidine is CCC1CN(C2COC2)CCC1(F)F.
What is the InChIKey of 3-ethyl-4,4-difluoro-1-(oxetan-3-yl)piperidine?
The InChIKey is CWSHYSZEQKANGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO/c1-2-8-5-13(9-6-14-7-9)4-3-10(8,11)12/h8-9H,2-7H2,1H3.
What are the key properties of 3-ethyl-4,4-difluoro-1-(oxetan-3-yl)piperidine?
3-ethyl-4,4-difluoro-1-(oxetan-3-yl)piperidine has a molecular weight of 205.25 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4,4-difluoro-1-(oxetan-3-yl)piperidine is sourced from PubChem (CID 138617821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).