2-(3,3-difluoropiperidin-4-yl)oxyacetic acid

C7H11F2NO3 — CID 134533964

IUPAC2-(3,3-difluoropiperidin-4-yl)oxyacetic acid
SMILESO=C(O)COC1CCNCC1(F)F
InChIInChI=1S/C7H11F2NO3/c8-7(9)4-10-2-1-5(7)13-3-6(11)12/h5,10H,1-4H2,(H,11,12)
InChIKeyRBFHQNLRQRMJOL-UHFFFAOYSA-N
MW195.16 g/mol
LogP0.08
Rot. Bonds3

About 2-(3,3-difluoropiperidin-4-yl)oxyacetic acid

2-(3,3-difluoropiperidin-4-yl)oxyacetic acid (PubChem CID 134533964) has the molecular formula C7H11F2NO3 and a molecular weight of 195.16 g/mol. Its IUPAC name is 2-(3,3-difluoropiperidin-4-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(3,3-difluoropiperidin-4-yl)oxyacetic acid
PubChem CID134533964
Molecular FormulaC7H11F2NO3
Molecular Weight195.16 g/mol
Exact Mass195.07
IUPAC Name2-(3,3-difluoropiperidin-4-yl)oxyacetic acid
SMILESO=C(O)COC1CCNCC1(F)F
InChIInChI=1S/C7H11F2NO3/c8-7(9)4-10-2-1-5(7)13-3-6(11)12/h5,10H,1-4H2,(H,11,12)
InChIKeyRBFHQNLRQRMJOL-UHFFFAOYSA-N
XLogP0.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.16
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoropiperidin-4-yl)oxyacetic acid?
The IUPAC name of 2-(3,3-difluoropiperidin-4-yl)oxyacetic acid (CID 134533964) is 2-(3,3-difluoropiperidin-4-yl)oxyacetic acid.
What is the SMILES notation for 2-(3,3-difluoropiperidin-4-yl)oxyacetic acid?
The canonical SMILES for 2-(3,3-difluoropiperidin-4-yl)oxyacetic acid is O=C(O)COC1CCNCC1(F)F.
What is the InChIKey of 2-(3,3-difluoropiperidin-4-yl)oxyacetic acid?
The InChIKey is RBFHQNLRQRMJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO3/c8-7(9)4-10-2-1-5(7)13-3-6(11)12/h5,10H,1-4H2,(H,11,12).
What are the key properties of 2-(3,3-difluoropiperidin-4-yl)oxyacetic acid?
2-(3,3-difluoropiperidin-4-yl)oxyacetic acid has a molecular weight of 195.16 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoropiperidin-4-yl)oxyacetic acid is sourced from PubChem (CID 134533964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).