(4R)-4-[(4,4-difluoropiperidin-1-yl)methyl]-1,3-oxazolidin-2-one

C9H14F2N2O2 — CID 67158006

IUPAC(4R)-4-[(4,4-difluoropiperidin-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](CN2CCC(F)(F)CC2)CO1
InChIInChI=1S/C9H14F2N2O2/c10-9(11)1-3-13(4-2-9)5-7-6-15-8(14)12-7/h7H,1-6H2,(H,12,14)/t7-/m1/s1
InChIKeyYUWUZKGDRMFPBC-SSDOTTSWSA-N
MW220.22 g/mol
LogP0.83
Rot. Bonds2

About (4R)-4-[(4,4-difluoropiperidin-1-yl)methyl]-1,3-oxazolidin-2-one

(4R)-4-[(4,4-difluoropiperidin-1-yl)methyl]-1,3-oxazolidin-2-one (PubChem CID 67158006) has the molecular formula C9H14F2N2O2 and a molecular weight of 220.22 g/mol. Its IUPAC name is (4R)-4-[(4,4-difluoropiperidin-1-yl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(4,4-difluoropiperidin-1-yl)methyl]-1,3-oxazolidin-2-one
PubChem CID67158006
Molecular FormulaC9H14F2N2O2
Molecular Weight220.22 g/mol
Exact Mass220.10
IUPAC Name(4R)-4-[(4,4-difluoropiperidin-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](CN2CCC(F)(F)CC2)CO1
InChIInChI=1S/C9H14F2N2O2/c10-9(11)1-3-13(4-2-9)5-7-6-15-8(14)12-7/h7H,1-6H2,(H,12,14)/t7-/m1/s1
InChIKeyYUWUZKGDRMFPBC-SSDOTTSWSA-N
XLogP0.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(4,4-difluoropiperidin-1-yl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-[(4,4-difluoropiperidin-1-yl)methyl]-1,3-oxazolidin-2-one (CID 67158006) is (4R)-4-[(4,4-difluoropiperidin-1-yl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-[(4,4-difluoropiperidin-1-yl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-[(4,4-difluoropiperidin-1-yl)methyl]-1,3-oxazolidin-2-one is O=C1N[C@H](CN2CCC(F)(F)CC2)CO1.
What is the InChIKey of (4R)-4-[(4,4-difluoropiperidin-1-yl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is YUWUZKGDRMFPBC-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H14F2N2O2/c10-9(11)1-3-13(4-2-9)5-7-6-15-8(14)12-7/h7H,1-6H2,(H,12,14)/t7-/m1/s1.
What are the key properties of (4R)-4-[(4,4-difluoropiperidin-1-yl)methyl]-1,3-oxazolidin-2-one?
(4R)-4-[(4,4-difluoropiperidin-1-yl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 220.22 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(4,4-difluoropiperidin-1-yl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 67158006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).