3,3-difluoro-4-propan-2-yloxypiperidine

C8H15F2NO — CID 118551902

IUPAC3,3-difluoro-4-propan-2-yloxypiperidine
SMILESCC(C)OC1CCNCC1(F)F
InChIInChI=1S/C8H15F2NO/c1-6(2)12-7-3-4-11-5-8(7,9)10/h6-7,11H,3-5H2,1-2H3
InChIKeyPPKQNFOHJYDTHX-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.41
Rot. Bonds2

About 3,3-difluoro-4-propan-2-yloxypiperidine

3,3-difluoro-4-propan-2-yloxypiperidine (PubChem CID 118551902) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 3,3-difluoro-4-propan-2-yloxypiperidine.

Molecular Properties

Compound Name3,3-difluoro-4-propan-2-yloxypiperidine
PubChem CID118551902
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name3,3-difluoro-4-propan-2-yloxypiperidine
SMILESCC(C)OC1CCNCC1(F)F
InChIInChI=1S/C8H15F2NO/c1-6(2)12-7-3-4-11-5-8(7,9)10/h6-7,11H,3-5H2,1-2H3
InChIKeyPPKQNFOHJYDTHX-UHFFFAOYSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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 3,3-difluoro-4-propan-2-yloxypiperidine?
The IUPAC name of 3,3-difluoro-4-propan-2-yloxypiperidine (CID 118551902) is 3,3-difluoro-4-propan-2-yloxypiperidine.
What is the SMILES notation for 3,3-difluoro-4-propan-2-yloxypiperidine?
The canonical SMILES for 3,3-difluoro-4-propan-2-yloxypiperidine is CC(C)OC1CCNCC1(F)F.
What is the InChIKey of 3,3-difluoro-4-propan-2-yloxypiperidine?
The InChIKey is PPKQNFOHJYDTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-6(2)12-7-3-4-11-5-8(7,9)10/h6-7,11H,3-5H2,1-2H3.
What are the key properties of 3,3-difluoro-4-propan-2-yloxypiperidine?
3,3-difluoro-4-propan-2-yloxypiperidine has a molecular weight of 179.21 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-propan-2-yloxypiperidine is sourced from PubChem (CID 118551902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).