3-[(3R)-4,4-difluoro-1-propan-2-ylpiperidin-3-yl]-1,3-oxazolidin-2-one

C11H18F2N2O2 — CID 167334981

IUPAC3-[(3R)-4,4-difluoro-1-propan-2-ylpiperidin-3-yl]-1,3-oxazolidin-2-one
SMILESCC(C)N1CCC(F)(F)[C@H](N2CCOC2=O)C1
InChIInChI=1S/C11H18F2N2O2/c1-8(2)14-4-3-11(12,13)9(7-14)15-5-6-17-10(15)16/h8-9H,3-7H2,1-2H3/t9-/m1/s1
InChIKeyXHAFIQFEDLCNBU-SECBINFHSA-N
MW248.27 g/mol
LogP1.56
Rot. Bonds2

About 3-[(3R)-4,4-difluoro-1-propan-2-ylpiperidin-3-yl]-1,3-oxazolidin-2-one

3-[(3R)-4,4-difluoro-1-propan-2-ylpiperidin-3-yl]-1,3-oxazolidin-2-one (PubChem CID 167334981) has the molecular formula C11H18F2N2O2 and a molecular weight of 248.27 g/mol. Its IUPAC name is 3-[(3R)-4,4-difluoro-1-propan-2-ylpiperidin-3-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(3R)-4,4-difluoro-1-propan-2-ylpiperidin-3-yl]-1,3-oxazolidin-2-one
PubChem CID167334981
Molecular FormulaC11H18F2N2O2
Molecular Weight248.27 g/mol
Exact Mass248.13
IUPAC Name3-[(3R)-4,4-difluoro-1-propan-2-ylpiperidin-3-yl]-1,3-oxazolidin-2-one
SMILESCC(C)N1CCC(F)(F)[C@H](N2CCOC2=O)C1
InChIInChI=1S/C11H18F2N2O2/c1-8(2)14-4-3-11(12,13)9(7-14)15-5-6-17-10(15)16/h8-9H,3-7H2,1-2H3/t9-/m1/s1
InChIKeyXHAFIQFEDLCNBU-SECBINFHSA-N
XLogP1.56
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-4,4-difluoro-1-propan-2-ylpiperidin-3-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(3R)-4,4-difluoro-1-propan-2-ylpiperidin-3-yl]-1,3-oxazolidin-2-one (CID 167334981) is 3-[(3R)-4,4-difluoro-1-propan-2-ylpiperidin-3-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(3R)-4,4-difluoro-1-propan-2-ylpiperidin-3-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(3R)-4,4-difluoro-1-propan-2-ylpiperidin-3-yl]-1,3-oxazolidin-2-one is CC(C)N1CCC(F)(F)[C@H](N2CCOC2=O)C1.
What is the InChIKey of 3-[(3R)-4,4-difluoro-1-propan-2-ylpiperidin-3-yl]-1,3-oxazolidin-2-one?
The InChIKey is XHAFIQFEDLCNBU-SECBINFHSA-N. The full InChI is InChI=1S/C11H18F2N2O2/c1-8(2)14-4-3-11(12,13)9(7-14)15-5-6-17-10(15)16/h8-9H,3-7H2,1-2H3/t9-/m1/s1.
What are the key properties of 3-[(3R)-4,4-difluoro-1-propan-2-ylpiperidin-3-yl]-1,3-oxazolidin-2-one?
3-[(3R)-4,4-difluoro-1-propan-2-ylpiperidin-3-yl]-1,3-oxazolidin-2-one has a molecular weight of 248.27 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-4,4-difluoro-1-propan-2-ylpiperidin-3-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 167334981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).