2-(1-ethyl-3,3,5,5-tetrafluoropiperidin-4-yl)oxyacetic acid

C9H13F4NO3 — CID 155049753

IUPAC2-(1-ethyl-3,3,5,5-tetrafluoropiperidin-4-yl)oxyacetic acid
SMILESCCN1CC(F)(F)C(OCC(=O)O)C(F)(F)C1
InChIInChI=1S/C9H13F4NO3/c1-2-14-4-8(10,11)7(9(12,13)5-14)17-3-6(15)16/h7H,2-5H2,1H3,(H,15,16)
InChIKeyCLCZYCHPDKEFIT-UHFFFAOYSA-N
MW259.20 g/mol
LogP1.06
Rot. Bonds4

About 2-(1-ethyl-3,3,5,5-tetrafluoropiperidin-4-yl)oxyacetic acid

2-(1-ethyl-3,3,5,5-tetrafluoropiperidin-4-yl)oxyacetic acid (PubChem CID 155049753) has the molecular formula C9H13F4NO3 and a molecular weight of 259.20 g/mol. Its IUPAC name is 2-(1-ethyl-3,3,5,5-tetrafluoropiperidin-4-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(1-ethyl-3,3,5,5-tetrafluoropiperidin-4-yl)oxyacetic acid
PubChem CID155049753
Molecular FormulaC9H13F4NO3
Molecular Weight259.20 g/mol
Exact Mass259.08
IUPAC Name2-(1-ethyl-3,3,5,5-tetrafluoropiperidin-4-yl)oxyacetic acid
SMILESCCN1CC(F)(F)C(OCC(=O)O)C(F)(F)C1
InChIInChI=1S/C9H13F4NO3/c1-2-14-4-8(10,11)7(9(12,13)5-14)17-3-6(15)16/h7H,2-5H2,1H3,(H,15,16)
InChIKeyCLCZYCHPDKEFIT-UHFFFAOYSA-N
XLogP1.06
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.20
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-3,3,5,5-tetrafluoropiperidin-4-yl)oxyacetic acid?
The IUPAC name of 2-(1-ethyl-3,3,5,5-tetrafluoropiperidin-4-yl)oxyacetic acid (CID 155049753) is 2-(1-ethyl-3,3,5,5-tetrafluoropiperidin-4-yl)oxyacetic acid.
What is the SMILES notation for 2-(1-ethyl-3,3,5,5-tetrafluoropiperidin-4-yl)oxyacetic acid?
The canonical SMILES for 2-(1-ethyl-3,3,5,5-tetrafluoropiperidin-4-yl)oxyacetic acid is CCN1CC(F)(F)C(OCC(=O)O)C(F)(F)C1.
What is the InChIKey of 2-(1-ethyl-3,3,5,5-tetrafluoropiperidin-4-yl)oxyacetic acid?
The InChIKey is CLCZYCHPDKEFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F4NO3/c1-2-14-4-8(10,11)7(9(12,13)5-14)17-3-6(15)16/h7H,2-5H2,1H3,(H,15,16).
What are the key properties of 2-(1-ethyl-3,3,5,5-tetrafluoropiperidin-4-yl)oxyacetic acid?
2-(1-ethyl-3,3,5,5-tetrafluoropiperidin-4-yl)oxyacetic acid has a molecular weight of 259.20 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-3,3,5,5-tetrafluoropiperidin-4-yl)oxyacetic acid is sourced from PubChem (CID 155049753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).