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

C8H13F2NO — CID 145419843

IUPAC4,4-difluoro-1-(oxetan-3-yl)piperidine
SMILESFC1(F)CCN(C2COC2)CC1
InChIInChI=1S/C8H13F2NO/c9-8(10)1-3-11(4-2-8)7-5-12-6-7/h7H,1-6H2
InChIKeyKGXRXZLVZOEPSB-UHFFFAOYSA-N
MW177.19 g/mol
LogP1.12
Rot. Bonds1

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

4,4-difluoro-1-(oxetan-3-yl)piperidine (PubChem CID 145419843) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is 4,4-difluoro-1-(oxetan-3-yl)piperidine.

Molecular Properties

Compound Name4,4-difluoro-1-(oxetan-3-yl)piperidine
PubChem CID145419843
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name4,4-difluoro-1-(oxetan-3-yl)piperidine
SMILESFC1(F)CCN(C2COC2)CC1
InChIInChI=1S/C8H13F2NO/c9-8(10)1-3-11(4-2-8)7-5-12-6-7/h7H,1-6H2
InChIKeyKGXRXZLVZOEPSB-UHFFFAOYSA-N
XLogP1.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-(oxetan-3-yl)piperidine?
The IUPAC name of 4,4-difluoro-1-(oxetan-3-yl)piperidine (CID 145419843) is 4,4-difluoro-1-(oxetan-3-yl)piperidine.
What is the SMILES notation for 4,4-difluoro-1-(oxetan-3-yl)piperidine?
The canonical SMILES for 4,4-difluoro-1-(oxetan-3-yl)piperidine is FC1(F)CCN(C2COC2)CC1.
What is the InChIKey of 4,4-difluoro-1-(oxetan-3-yl)piperidine?
The InChIKey is KGXRXZLVZOEPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c9-8(10)1-3-11(4-2-8)7-5-12-6-7/h7H,1-6H2.
What are the key properties of 4,4-difluoro-1-(oxetan-3-yl)piperidine?
4,4-difluoro-1-(oxetan-3-yl)piperidine has a molecular weight of 177.19 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-(oxetan-3-yl)piperidine is sourced from PubChem (CID 145419843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).