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PPKQNFOHJYDTHX-SSDOTTSWSA-N

C8H15F2NO — CID 121261751

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(4R)-3,3-difluoro-4-propan-2-yloxypiperidine
SMILESCC(C)O[C@@H]1CCNCC1(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/t7-/m1/s1
InChIKeyPPKQNFOHJYDTHX-SSDOTTSWSA-N
MW179.21 g/mol
LogP1.41
Rot. Bonds2

About PPKQNFOHJYDTHX-SSDOTTSWSA-N

PPKQNFOHJYDTHX-SSDOTTSWSA-N (PubChem CID 121261751) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is (4R)-3,3-difluoro-4-propan-2-yloxypiperidine.

Molecular Properties

Compound NamePPKQNFOHJYDTHX-SSDOTTSWSA-N
PubChem CID121261751
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name(4R)-3,3-difluoro-4-propan-2-yloxypiperidine
SMILESCC(C)O[C@@H]1CCNCC1(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/t7-/m1/s1
InChIKeyPPKQNFOHJYDTHX-SSDOTTSWSA-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 PPKQNFOHJYDTHX-SSDOTTSWSA-N?
The IUPAC name of PPKQNFOHJYDTHX-SSDOTTSWSA-N (CID 121261751) is (4R)-3,3-difluoro-4-propan-2-yloxypiperidine.
What is the SMILES notation for PPKQNFOHJYDTHX-SSDOTTSWSA-N?
The canonical SMILES for PPKQNFOHJYDTHX-SSDOTTSWSA-N is CC(C)O[C@@H]1CCNCC1(F)F.
What is the InChIKey of PPKQNFOHJYDTHX-SSDOTTSWSA-N?
The InChIKey is PPKQNFOHJYDTHX-SSDOTTSWSA-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/t7-/m1/s1.
What are the key properties of PPKQNFOHJYDTHX-SSDOTTSWSA-N?
PPKQNFOHJYDTHX-SSDOTTSWSA-N 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 PPKQNFOHJYDTHX-SSDOTTSWSA-N is sourced from PubChem (CID 121261751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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