2-[1-(2,2-difluoroethyl)piperidin-4-yl]oxyacetic acid

C9H15F2NO3 — CID 63904700

IUPAC2-[1-(2,2-difluoroethyl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(CC(F)F)CC1
InChIInChI=1S/C9H15F2NO3/c10-8(11)5-12-3-1-7(2-4-12)15-6-9(13)14/h7-8H,1-6H2,(H,13,14)
InChIKeyWNTAHNIFJHUOGX-UHFFFAOYSA-N
MW223.22 g/mol
LogP0.82
Rot. Bonds5

About 2-[1-(2,2-difluoroethyl)piperidin-4-yl]oxyacetic acid

2-[1-(2,2-difluoroethyl)piperidin-4-yl]oxyacetic acid (PubChem CID 63904700) has the molecular formula C9H15F2NO3 and a molecular weight of 223.22 g/mol. Its IUPAC name is 2-[1-(2,2-difluoroethyl)piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(2,2-difluoroethyl)piperidin-4-yl]oxyacetic acid
PubChem CID63904700
Molecular FormulaC9H15F2NO3
Molecular Weight223.22 g/mol
Exact Mass223.10
IUPAC Name2-[1-(2,2-difluoroethyl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(CC(F)F)CC1
InChIInChI=1S/C9H15F2NO3/c10-8(11)5-12-3-1-7(2-4-12)15-6-9(13)14/h7-8H,1-6H2,(H,13,14)
InChIKeyWNTAHNIFJHUOGX-UHFFFAOYSA-N
XLogP0.82
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-difluoroethyl)piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-(2,2-difluoroethyl)piperidin-4-yl]oxyacetic acid (CID 63904700) is 2-[1-(2,2-difluoroethyl)piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(2,2-difluoroethyl)piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(2,2-difluoroethyl)piperidin-4-yl]oxyacetic acid is O=C(O)COC1CCN(CC(F)F)CC1.
What is the InChIKey of 2-[1-(2,2-difluoroethyl)piperidin-4-yl]oxyacetic acid?
The InChIKey is WNTAHNIFJHUOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO3/c10-8(11)5-12-3-1-7(2-4-12)15-6-9(13)14/h7-8H,1-6H2,(H,13,14).
What are the key properties of 2-[1-(2,2-difluoroethyl)piperidin-4-yl]oxyacetic acid?
2-[1-(2,2-difluoroethyl)piperidin-4-yl]oxyacetic acid has a molecular weight of 223.22 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-difluoroethyl)piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 63904700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).