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

C10H17F2NO3 — CID 153412202

IUPAC2-(5,5-difluoro-1-propan-2-ylpiperidin-3-yl)oxyacetic acid
SMILESCC(C)N1CC(OCC(=O)O)CC(F)(F)C1
InChIInChI=1S/C10H17F2NO3/c1-7(2)13-4-8(16-5-9(14)15)3-10(11,12)6-13/h7-8H,3-6H2,1-2H3,(H,14,15)
InChIKeyIYOAKOUHTFCWRX-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.21
Rot. Bonds4

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

2-(5,5-difluoro-1-propan-2-ylpiperidin-3-yl)oxyacetic acid (PubChem CID 153412202) has the molecular formula C10H17F2NO3 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-(5,5-difluoro-1-propan-2-ylpiperidin-3-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(5,5-difluoro-1-propan-2-ylpiperidin-3-yl)oxyacetic acid
PubChem CID153412202
Molecular FormulaC10H17F2NO3
Molecular Weight237.25 g/mol
Exact Mass237.12
IUPAC Name2-(5,5-difluoro-1-propan-2-ylpiperidin-3-yl)oxyacetic acid
SMILESCC(C)N1CC(OCC(=O)O)CC(F)(F)C1
InChIInChI=1S/C10H17F2NO3/c1-7(2)13-4-8(16-5-9(14)15)3-10(11,12)6-13/h7-8H,3-6H2,1-2H3,(H,14,15)
InChIKeyIYOAKOUHTFCWRX-UHFFFAOYSA-N
XLogP1.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5,5-difluoro-1-propan-2-ylpiperidin-3-yl)oxyacetic acid?
The IUPAC name of 2-(5,5-difluoro-1-propan-2-ylpiperidin-3-yl)oxyacetic acid (CID 153412202) is 2-(5,5-difluoro-1-propan-2-ylpiperidin-3-yl)oxyacetic acid.
What is the SMILES notation for 2-(5,5-difluoro-1-propan-2-ylpiperidin-3-yl)oxyacetic acid?
The canonical SMILES for 2-(5,5-difluoro-1-propan-2-ylpiperidin-3-yl)oxyacetic acid is CC(C)N1CC(OCC(=O)O)CC(F)(F)C1.
What is the InChIKey of 2-(5,5-difluoro-1-propan-2-ylpiperidin-3-yl)oxyacetic acid?
The InChIKey is IYOAKOUHTFCWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO3/c1-7(2)13-4-8(16-5-9(14)15)3-10(11,12)6-13/h7-8H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 2-(5,5-difluoro-1-propan-2-ylpiperidin-3-yl)oxyacetic acid?
2-(5,5-difluoro-1-propan-2-ylpiperidin-3-yl)oxyacetic acid has a molecular weight of 237.25 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-difluoro-1-propan-2-ylpiperidin-3-yl)oxyacetic acid is sourced from PubChem (CID 153412202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).