4,4-difluoro-1-(oxetan-3-yl)-3-propan-2-ylpiperidine

C11H19F2NO — CID 137391663

IUPAC4,4-difluoro-1-(oxetan-3-yl)-3-propan-2-ylpiperidine
SMILESCC(C)C1CN(C2COC2)CCC1(F)F
InChIInChI=1S/C11H19F2NO/c1-8(2)10-5-14(9-6-15-7-9)4-3-11(10,12)13/h8-10H,3-7H2,1-2H3
InChIKeySDNHBQQHRGLFIK-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.00
Rot. Bonds2

About 4,4-difluoro-1-(oxetan-3-yl)-3-propan-2-ylpiperidine

4,4-difluoro-1-(oxetan-3-yl)-3-propan-2-ylpiperidine (PubChem CID 137391663) has the molecular formula C11H19F2NO and a molecular weight of 219.27 g/mol. Its IUPAC name is 4,4-difluoro-1-(oxetan-3-yl)-3-propan-2-ylpiperidine.

Molecular Properties

Compound Name4,4-difluoro-1-(oxetan-3-yl)-3-propan-2-ylpiperidine
PubChem CID137391663
Molecular FormulaC11H19F2NO
Molecular Weight219.27 g/mol
Exact Mass219.14
IUPAC Name4,4-difluoro-1-(oxetan-3-yl)-3-propan-2-ylpiperidine
SMILESCC(C)C1CN(C2COC2)CCC1(F)F
InChIInChI=1S/C11H19F2NO/c1-8(2)10-5-14(9-6-15-7-9)4-3-11(10,12)13/h8-10H,3-7H2,1-2H3
InChIKeySDNHBQQHRGLFIK-UHFFFAOYSA-N
XLogP2.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.00
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)-3-propan-2-ylpiperidine?
The IUPAC name of 4,4-difluoro-1-(oxetan-3-yl)-3-propan-2-ylpiperidine (CID 137391663) is 4,4-difluoro-1-(oxetan-3-yl)-3-propan-2-ylpiperidine.
What is the SMILES notation for 4,4-difluoro-1-(oxetan-3-yl)-3-propan-2-ylpiperidine?
The canonical SMILES for 4,4-difluoro-1-(oxetan-3-yl)-3-propan-2-ylpiperidine is CC(C)C1CN(C2COC2)CCC1(F)F.
What is the InChIKey of 4,4-difluoro-1-(oxetan-3-yl)-3-propan-2-ylpiperidine?
The InChIKey is SDNHBQQHRGLFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO/c1-8(2)10-5-14(9-6-15-7-9)4-3-11(10,12)13/h8-10H,3-7H2,1-2H3.
What are the key properties of 4,4-difluoro-1-(oxetan-3-yl)-3-propan-2-ylpiperidine?
4,4-difluoro-1-(oxetan-3-yl)-3-propan-2-ylpiperidine has a molecular weight of 219.27 g/mol, XLogP of 2.00, 2 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)-3-propan-2-ylpiperidine is sourced from PubChem (CID 137391663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).