3-fluoro-N,4-dimethyl-1,3-oxazolidin-2-imine

C5H9FN2O — CID 143942515

IUPAC3-fluoro-N,4-dimethyl-1,3-oxazolidin-2-imine
SMILESC/N=C1\OCC(C)N1F
InChIInChI=1S/C5H9FN2O/c1-4-3-9-5(7-2)8(4)6/h4H,3H2,1-2H3/b7-5-
InChIKeySALVYEWQFQIJET-ALCCZGGFSA-N
MW132.14 g/mol
LogP0.58
Rot. Bonds

About 3-fluoro-N,4-dimethyl-1,3-oxazolidin-2-imine

3-fluoro-N,4-dimethyl-1,3-oxazolidin-2-imine (PubChem CID 143942515) has the molecular formula C5H9FN2O and a molecular weight of 132.14 g/mol. Its IUPAC name is 3-fluoro-N,4-dimethyl-1,3-oxazolidin-2-imine.

Molecular Properties

Compound Name3-fluoro-N,4-dimethyl-1,3-oxazolidin-2-imine
PubChem CID143942515
Molecular FormulaC5H9FN2O
Molecular Weight132.14 g/mol
Exact Mass132.07
IUPAC Name3-fluoro-N,4-dimethyl-1,3-oxazolidin-2-imine
SMILESC/N=C1\OCC(C)N1F
InChIInChI=1S/C5H9FN2O/c1-4-3-9-5(7-2)8(4)6/h4H,3H2,1-2H3/b7-5-
InChIKeySALVYEWQFQIJET-ALCCZGGFSA-N
XLogP0.58
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.14
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

N,3-di(propan-2-yl)-1,3-oxazolidin-2-imine
CID 21523590
3-ethyl-N-propan-2-yl-1,3-oxazolidin-2-imine
CID 57590559
3-methyl-N-propan-2-yl-1,3-oxazolidin-2-imine
CID 57590586
N,3-dimethyl-1,3-oxazolidin-2-imine
CID 89200315
3,4-dimethyl-N-propan-2-yl-1,3-oxazolidin-2-imine
CID 91035109
N-methyl-N-propan-2-yl-4,5-dihydro-1,3-oxazol-2-amine
CID 156747941

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N,4-dimethyl-1,3-oxazolidin-2-imine?
The IUPAC name of 3-fluoro-N,4-dimethyl-1,3-oxazolidin-2-imine (CID 143942515) is 3-fluoro-N,4-dimethyl-1,3-oxazolidin-2-imine.
What is the SMILES notation for 3-fluoro-N,4-dimethyl-1,3-oxazolidin-2-imine?
The canonical SMILES for 3-fluoro-N,4-dimethyl-1,3-oxazolidin-2-imine is C/N=C1\OCC(C)N1F.
What is the InChIKey of 3-fluoro-N,4-dimethyl-1,3-oxazolidin-2-imine?
The InChIKey is SALVYEWQFQIJET-ALCCZGGFSA-N. The full InChI is InChI=1S/C5H9FN2O/c1-4-3-9-5(7-2)8(4)6/h4H,3H2,1-2H3/b7-5-.
What are the key properties of 3-fluoro-N,4-dimethyl-1,3-oxazolidin-2-imine?
3-fluoro-N,4-dimethyl-1,3-oxazolidin-2-imine has a molecular weight of 132.14 g/mol, XLogP of 0.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N,4-dimethyl-1,3-oxazolidin-2-imine is sourced from PubChem (CID 143942515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).