3-[6-(trifluoromethyl)piperidin-3-yl]-1,3-oxazolidin-2-one

C9H13F3N2O2 — CID 82816929

IUPAC3-[6-(trifluoromethyl)piperidin-3-yl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C1CCC(C(F)(F)F)NC1
InChIInChI=1S/C9H13F3N2O2/c10-9(11,12)7-2-1-6(5-13-7)14-3-4-16-8(14)15/h6-7,13H,1-5H2
InChIKeyYCMSKLMLDOTVFK-UHFFFAOYSA-N
MW238.21 g/mol
LogP1.12
Rot. Bonds1

About 3-[6-(trifluoromethyl)piperidin-3-yl]-1,3-oxazolidin-2-one

3-[6-(trifluoromethyl)piperidin-3-yl]-1,3-oxazolidin-2-one (PubChem CID 82816929) has the molecular formula C9H13F3N2O2 and a molecular weight of 238.21 g/mol. Its IUPAC name is 3-[6-(trifluoromethyl)piperidin-3-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[6-(trifluoromethyl)piperidin-3-yl]-1,3-oxazolidin-2-one
PubChem CID82816929
Molecular FormulaC9H13F3N2O2
Molecular Weight238.21 g/mol
Exact Mass238.09
IUPAC Name3-[6-(trifluoromethyl)piperidin-3-yl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C1CCC(C(F)(F)F)NC1
InChIInChI=1S/C9H13F3N2O2/c10-9(11,12)7-2-1-6(5-13-7)14-3-4-16-8(14)15/h6-7,13H,1-5H2
InChIKeyYCMSKLMLDOTVFK-UHFFFAOYSA-N
XLogP1.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(trifluoromethyl)piperidin-3-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[6-(trifluoromethyl)piperidin-3-yl]-1,3-oxazolidin-2-one (CID 82816929) is 3-[6-(trifluoromethyl)piperidin-3-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[6-(trifluoromethyl)piperidin-3-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[6-(trifluoromethyl)piperidin-3-yl]-1,3-oxazolidin-2-one is O=C1OCCN1C1CCC(C(F)(F)F)NC1.
What is the InChIKey of 3-[6-(trifluoromethyl)piperidin-3-yl]-1,3-oxazolidin-2-one?
The InChIKey is YCMSKLMLDOTVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O2/c10-9(11,12)7-2-1-6(5-13-7)14-3-4-16-8(14)15/h6-7,13H,1-5H2.
What are the key properties of 3-[6-(trifluoromethyl)piperidin-3-yl]-1,3-oxazolidin-2-one?
3-[6-(trifluoromethyl)piperidin-3-yl]-1,3-oxazolidin-2-one has a molecular weight of 238.21 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(trifluoromethyl)piperidin-3-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 82816929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).