2-(3,3,5,5-tetrafluoro-1-propan-2-ylpiperidin-4-yl)oxyacetic acid

C10H15F4NO3 — CID 134534001

IUPAC2-(3,3,5,5-tetrafluoro-1-propan-2-ylpiperidin-4-yl)oxyacetic acid
SMILESCC(C)N1CC(F)(F)C(OCC(=O)O)C(F)(F)C1
InChIInChI=1S/C10H15F4NO3/c1-6(2)15-4-9(11,12)8(10(13,14)5-15)18-3-7(16)17/h6,8H,3-5H2,1-2H3,(H,16,17)
InChIKeyKAHASCYBRHBJHB-UHFFFAOYSA-N
MW273.23 g/mol
LogP1.45
Rot. Bonds4

About 2-(3,3,5,5-tetrafluoro-1-propan-2-ylpiperidin-4-yl)oxyacetic acid

2-(3,3,5,5-tetrafluoro-1-propan-2-ylpiperidin-4-yl)oxyacetic acid (PubChem CID 134534001) has the molecular formula C10H15F4NO3 and a molecular weight of 273.23 g/mol. Its IUPAC name is 2-(3,3,5,5-tetrafluoro-1-propan-2-ylpiperidin-4-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(3,3,5,5-tetrafluoro-1-propan-2-ylpiperidin-4-yl)oxyacetic acid
PubChem CID134534001
Molecular FormulaC10H15F4NO3
Molecular Weight273.23 g/mol
Exact Mass273.10
IUPAC Name2-(3,3,5,5-tetrafluoro-1-propan-2-ylpiperidin-4-yl)oxyacetic acid
SMILESCC(C)N1CC(F)(F)C(OCC(=O)O)C(F)(F)C1
InChIInChI=1S/C10H15F4NO3/c1-6(2)15-4-9(11,12)8(10(13,14)5-15)18-3-7(16)17/h6,8H,3-5H2,1-2H3,(H,16,17)
InChIKeyKAHASCYBRHBJHB-UHFFFAOYSA-N
XLogP1.45
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.23
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3,5,5-tetrafluoro-1-propan-2-ylpiperidin-4-yl)oxyacetic acid?
The IUPAC name of 2-(3,3,5,5-tetrafluoro-1-propan-2-ylpiperidin-4-yl)oxyacetic acid (CID 134534001) is 2-(3,3,5,5-tetrafluoro-1-propan-2-ylpiperidin-4-yl)oxyacetic acid.
What is the SMILES notation for 2-(3,3,5,5-tetrafluoro-1-propan-2-ylpiperidin-4-yl)oxyacetic acid?
The canonical SMILES for 2-(3,3,5,5-tetrafluoro-1-propan-2-ylpiperidin-4-yl)oxyacetic acid is CC(C)N1CC(F)(F)C(OCC(=O)O)C(F)(F)C1.
What is the InChIKey of 2-(3,3,5,5-tetrafluoro-1-propan-2-ylpiperidin-4-yl)oxyacetic acid?
The InChIKey is KAHASCYBRHBJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F4NO3/c1-6(2)15-4-9(11,12)8(10(13,14)5-15)18-3-7(16)17/h6,8H,3-5H2,1-2H3,(H,16,17).
What are the key properties of 2-(3,3,5,5-tetrafluoro-1-propan-2-ylpiperidin-4-yl)oxyacetic acid?
2-(3,3,5,5-tetrafluoro-1-propan-2-ylpiperidin-4-yl)oxyacetic acid has a molecular weight of 273.23 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,5,5-tetrafluoro-1-propan-2-ylpiperidin-4-yl)oxyacetic acid is sourced from PubChem (CID 134534001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).