5-(1,1-difluorooctyl)-3-methyl-1,3-oxazolidin-2-one

C12H21F2NO2 — CID 101432699

IUPAC5-(1,1-difluorooctyl)-3-methyl-1,3-oxazolidin-2-one
SMILESCCCCCCCC(F)(F)C1CN(C)C(=O)O1
InChIInChI=1S/C12H21F2NO2/c1-3-4-5-6-7-8-12(13,14)10-9-15(2)11(16)17-10/h10H,3-9H2,1-2H3
InChIKeyYCUYIXSIOOKZID-UHFFFAOYSA-N
MW249.30 g/mol
LogP3.43
Rot. Bonds7

About 5-(1,1-difluorooctyl)-3-methyl-1,3-oxazolidin-2-one

5-(1,1-difluorooctyl)-3-methyl-1,3-oxazolidin-2-one (PubChem CID 101432699) has the molecular formula C12H21F2NO2 and a molecular weight of 249.30 g/mol. Its IUPAC name is 5-(1,1-difluorooctyl)-3-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(1,1-difluorooctyl)-3-methyl-1,3-oxazolidin-2-one
PubChem CID101432699
Molecular FormulaC12H21F2NO2
Molecular Weight249.30 g/mol
Exact Mass249.15
IUPAC Name5-(1,1-difluorooctyl)-3-methyl-1,3-oxazolidin-2-one
SMILESCCCCCCCC(F)(F)C1CN(C)C(=O)O1
InChIInChI=1S/C12H21F2NO2/c1-3-4-5-6-7-8-12(13,14)10-9-15(2)11(16)17-10/h10H,3-9H2,1-2H3
InChIKeyYCUYIXSIOOKZID-UHFFFAOYSA-N
XLogP3.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluorooctyl)-3-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-(1,1-difluorooctyl)-3-methyl-1,3-oxazolidin-2-one (CID 101432699) is 5-(1,1-difluorooctyl)-3-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(1,1-difluorooctyl)-3-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(1,1-difluorooctyl)-3-methyl-1,3-oxazolidin-2-one is CCCCCCCC(F)(F)C1CN(C)C(=O)O1.
What is the InChIKey of 5-(1,1-difluorooctyl)-3-methyl-1,3-oxazolidin-2-one?
The InChIKey is YCUYIXSIOOKZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NO2/c1-3-4-5-6-7-8-12(13,14)10-9-15(2)11(16)17-10/h10H,3-9H2,1-2H3.
What are the key properties of 5-(1,1-difluorooctyl)-3-methyl-1,3-oxazolidin-2-one?
5-(1,1-difluorooctyl)-3-methyl-1,3-oxazolidin-2-one has a molecular weight of 249.30 g/mol, XLogP of 3.43, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluorooctyl)-3-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 101432699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).