5-[1,1-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-3-methyl-1,3-oxazolidin-2-one

C11H19F2NO3 — CID 101432697

IUPAC5-[1,1-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-3-methyl-1,3-oxazolidin-2-one
SMILESCN1CC(C(F)(F)CCOC(C)(C)C)OC1=O
InChIInChI=1S/C11H19F2NO3/c1-10(2,3)16-6-5-11(12,13)8-7-14(4)9(15)17-8/h8H,5-7H2,1-4H3
InChIKeyRMGHWWHBTAHJBX-UHFFFAOYSA-N
MW251.27 g/mol
LogP2.28
Rot. Bonds4

About 5-[1,1-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-3-methyl-1,3-oxazolidin-2-one

5-[1,1-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-3-methyl-1,3-oxazolidin-2-one (PubChem CID 101432697) has the molecular formula C11H19F2NO3 and a molecular weight of 251.27 g/mol. Its IUPAC name is 5-[1,1-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-3-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[1,1-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-3-methyl-1,3-oxazolidin-2-one
PubChem CID101432697
Molecular FormulaC11H19F2NO3
Molecular Weight251.27 g/mol
Exact Mass251.13
IUPAC Name5-[1,1-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-3-methyl-1,3-oxazolidin-2-one
SMILESCN1CC(C(F)(F)CCOC(C)(C)C)OC1=O
InChIInChI=1S/C11H19F2NO3/c1-10(2,3)16-6-5-11(12,13)8-7-14(4)9(15)17-8/h8H,5-7H2,1-4H3
InChIKeyRMGHWWHBTAHJBX-UHFFFAOYSA-N
XLogP2.28
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[1,1-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-3-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-[1,1-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-3-methyl-1,3-oxazolidin-2-one (CID 101432697) is 5-[1,1-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-3-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[1,1-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-3-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[1,1-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-3-methyl-1,3-oxazolidin-2-one is CN1CC(C(F)(F)CCOC(C)(C)C)OC1=O.
What is the InChIKey of 5-[1,1-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-3-methyl-1,3-oxazolidin-2-one?
The InChIKey is RMGHWWHBTAHJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO3/c1-10(2,3)16-6-5-11(12,13)8-7-14(4)9(15)17-8/h8H,5-7H2,1-4H3.
What are the key properties of 5-[1,1-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-3-methyl-1,3-oxazolidin-2-one?
5-[1,1-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-3-methyl-1,3-oxazolidin-2-one has a molecular weight of 251.27 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1,1-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-3-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 101432697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).