2-[2-oxo-5-(trifluoromethyl)piperidin-1-yl]acetic acid

C8H10F3NO3 — CID 136576052

IUPAC2-[2-oxo-5-(trifluoromethyl)piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CC(C(F)(F)F)CCC1=O
InChIInChI=1S/C8H10F3NO3/c9-8(10,11)5-1-2-6(13)12(3-5)4-7(14)15/h5H,1-4H2,(H,14,15)
InChIKeyZCAWGXVPOLRYFG-UHFFFAOYSA-N
MW225.17 g/mol
LogP0.87
Rot. Bonds2

About 2-[2-oxo-5-(trifluoromethyl)piperidin-1-yl]acetic acid

2-[2-oxo-5-(trifluoromethyl)piperidin-1-yl]acetic acid (PubChem CID 136576052) has the molecular formula C8H10F3NO3 and a molecular weight of 225.17 g/mol. Its IUPAC name is 2-[2-oxo-5-(trifluoromethyl)piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-5-(trifluoromethyl)piperidin-1-yl]acetic acid
PubChem CID136576052
Molecular FormulaC8H10F3NO3
Molecular Weight225.17 g/mol
Exact Mass225.06
IUPAC Name2-[2-oxo-5-(trifluoromethyl)piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CC(C(F)(F)F)CCC1=O
InChIInChI=1S/C8H10F3NO3/c9-8(10,11)5-1-2-6(13)12(3-5)4-7(14)15/h5H,1-4H2,(H,14,15)
InChIKeyZCAWGXVPOLRYFG-UHFFFAOYSA-N
XLogP0.87
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.17
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-5-(trifluoromethyl)piperidin-1-yl]acetic acid?
The IUPAC name of 2-[2-oxo-5-(trifluoromethyl)piperidin-1-yl]acetic acid (CID 136576052) is 2-[2-oxo-5-(trifluoromethyl)piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[2-oxo-5-(trifluoromethyl)piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[2-oxo-5-(trifluoromethyl)piperidin-1-yl]acetic acid is O=C(O)CN1CC(C(F)(F)F)CCC1=O.
What is the InChIKey of 2-[2-oxo-5-(trifluoromethyl)piperidin-1-yl]acetic acid?
The InChIKey is ZCAWGXVPOLRYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO3/c9-8(10,11)5-1-2-6(13)12(3-5)4-7(14)15/h5H,1-4H2,(H,14,15).
What are the key properties of 2-[2-oxo-5-(trifluoromethyl)piperidin-1-yl]acetic acid?
2-[2-oxo-5-(trifluoromethyl)piperidin-1-yl]acetic acid has a molecular weight of 225.17 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-5-(trifluoromethyl)piperidin-1-yl]acetic acid is sourced from PubChem (CID 136576052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).