4-(4,4-difluoropiperidin-1-yl)-3-phenyl-1,3-oxazolidin-2-one

C14H16F2N2O2 — CID 68698578

IUPAC4-(4,4-difluoropiperidin-1-yl)-3-phenyl-1,3-oxazolidin-2-one
SMILESO=C1OCC(N2CCC(F)(F)CC2)N1c1ccccc1
InChIInChI=1S/C14H16F2N2O2/c15-14(16)6-8-17(9-7-14)12-10-20-13(19)18(12)11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChIKeyMLCXGDSZXACMRJ-UHFFFAOYSA-N
MW282.29 g/mol
LogP2.70
Rot. Bonds2

About 4-(4,4-difluoropiperidin-1-yl)-3-phenyl-1,3-oxazolidin-2-one

4-(4,4-difluoropiperidin-1-yl)-3-phenyl-1,3-oxazolidin-2-one (PubChem CID 68698578) has the molecular formula C14H16F2N2O2 and a molecular weight of 282.29 g/mol. Its IUPAC name is 4-(4,4-difluoropiperidin-1-yl)-3-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(4,4-difluoropiperidin-1-yl)-3-phenyl-1,3-oxazolidin-2-one
PubChem CID68698578
Molecular FormulaC14H16F2N2O2
Molecular Weight282.29 g/mol
Exact Mass282.12
IUPAC Name4-(4,4-difluoropiperidin-1-yl)-3-phenyl-1,3-oxazolidin-2-one
SMILESO=C1OCC(N2CCC(F)(F)CC2)N1c1ccccc1
InChIInChI=1S/C14H16F2N2O2/c15-14(16)6-8-17(9-7-14)12-10-20-13(19)18(12)11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChIKeyMLCXGDSZXACMRJ-UHFFFAOYSA-N
XLogP2.70
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4,4-difluoropiperidin-1-yl)-3-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 4-(4,4-difluoropiperidin-1-yl)-3-phenyl-1,3-oxazolidin-2-one (CID 68698578) is 4-(4,4-difluoropiperidin-1-yl)-3-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(4,4-difluoropiperidin-1-yl)-3-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(4,4-difluoropiperidin-1-yl)-3-phenyl-1,3-oxazolidin-2-one is O=C1OCC(N2CCC(F)(F)CC2)N1c1ccccc1.
What is the InChIKey of 4-(4,4-difluoropiperidin-1-yl)-3-phenyl-1,3-oxazolidin-2-one?
The InChIKey is MLCXGDSZXACMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O2/c15-14(16)6-8-17(9-7-14)12-10-20-13(19)18(12)11-4-2-1-3-5-11/h1-5,12H,6-10H2.
What are the key properties of 4-(4,4-difluoropiperidin-1-yl)-3-phenyl-1,3-oxazolidin-2-one?
4-(4,4-difluoropiperidin-1-yl)-3-phenyl-1,3-oxazolidin-2-one has a molecular weight of 282.29 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-difluoropiperidin-1-yl)-3-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 68698578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).