2-[1-(2,2,3,3-tetrafluoropropylcarbamoyl)piperidin-4-yl]oxyacetic acid

C11H16F4N2O4 — CID 106295210

IUPAC2-[1-(2,2,3,3-tetrafluoropropylcarbamoyl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(C(=O)NCC(F)(F)C(F)F)CC1
InChIInChI=1S/C11H16F4N2O4/c12-9(13)11(14,15)6-16-10(20)17-3-1-7(2-4-17)21-5-8(18)19/h7,9H,1-6H2,(H,16,20)(H,18,19)
InChIKeyXTSFYYCNGZLBFB-UHFFFAOYSA-N
MW316.25 g/mol
LogP1.16
Rot. Bonds6

About 2-[1-(2,2,3,3-tetrafluoropropylcarbamoyl)piperidin-4-yl]oxyacetic acid

2-[1-(2,2,3,3-tetrafluoropropylcarbamoyl)piperidin-4-yl]oxyacetic acid (PubChem CID 106295210) has the molecular formula C11H16F4N2O4 and a molecular weight of 316.25 g/mol. Its IUPAC name is 2-[1-(2,2,3,3-tetrafluoropropylcarbamoyl)piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(2,2,3,3-tetrafluoropropylcarbamoyl)piperidin-4-yl]oxyacetic acid
PubChem CID106295210
Molecular FormulaC11H16F4N2O4
Molecular Weight316.25 g/mol
Exact Mass316.10
IUPAC Name2-[1-(2,2,3,3-tetrafluoropropylcarbamoyl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(C(=O)NCC(F)(F)C(F)F)CC1
InChIInChI=1S/C11H16F4N2O4/c12-9(13)11(14,15)6-16-10(20)17-3-1-7(2-4-17)21-5-8(18)19/h7,9H,1-6H2,(H,16,20)(H,18,19)
InChIKeyXTSFYYCNGZLBFB-UHFFFAOYSA-N
XLogP1.16
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.25
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2,3,3-tetrafluoropropylcarbamoyl)piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-(2,2,3,3-tetrafluoropropylcarbamoyl)piperidin-4-yl]oxyacetic acid (CID 106295210) is 2-[1-(2,2,3,3-tetrafluoropropylcarbamoyl)piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(2,2,3,3-tetrafluoropropylcarbamoyl)piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(2,2,3,3-tetrafluoropropylcarbamoyl)piperidin-4-yl]oxyacetic acid is O=C(O)COC1CCN(C(=O)NCC(F)(F)C(F)F)CC1.
What is the InChIKey of 2-[1-(2,2,3,3-tetrafluoropropylcarbamoyl)piperidin-4-yl]oxyacetic acid?
The InChIKey is XTSFYYCNGZLBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F4N2O4/c12-9(13)11(14,15)6-16-10(20)17-3-1-7(2-4-17)21-5-8(18)19/h7,9H,1-6H2,(H,16,20)(H,18,19).
What are the key properties of 2-[1-(2,2,3,3-tetrafluoropropylcarbamoyl)piperidin-4-yl]oxyacetic acid?
2-[1-(2,2,3,3-tetrafluoropropylcarbamoyl)piperidin-4-yl]oxyacetic acid has a molecular weight of 316.25 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2,3,3-tetrafluoropropylcarbamoyl)piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 106295210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).