3-(2-fluoropropan-2-yl)-1,2-oxazole

C6H8FNO — CID 91289253

IUPAC3-(2-fluoropropan-2-yl)-1,2-oxazole
SMILESCC(C)(F)c1ccon1
InChIInChI=1S/C6H8FNO/c1-6(2,7)5-3-4-9-8-5/h3-4H,1-2H3
InChIKeyRIDYPNWOSNZIRU-UHFFFAOYSA-N
MW129.13 g/mol
LogP1.88
Rot. Bonds1

About 3-(2-fluoropropan-2-yl)-1,2-oxazole

3-(2-fluoropropan-2-yl)-1,2-oxazole (PubChem CID 91289253) has the molecular formula C6H8FNO and a molecular weight of 129.13 g/mol. Its IUPAC name is 3-(2-fluoropropan-2-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-(2-fluoropropan-2-yl)-1,2-oxazole
PubChem CID91289253
Molecular FormulaC6H8FNO
Molecular Weight129.13 g/mol
Exact Mass129.06
IUPAC Name3-(2-fluoropropan-2-yl)-1,2-oxazole
SMILESCC(C)(F)c1ccon1
InChIInChI=1S/C6H8FNO/c1-6(2,7)5-3-4-9-8-5/h3-4H,1-2H3
InChIKeyRIDYPNWOSNZIRU-UHFFFAOYSA-N
XLogP1.88
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.13
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoropropan-2-yl)-1,2-oxazole?
The IUPAC name of 3-(2-fluoropropan-2-yl)-1,2-oxazole (CID 91289253) is 3-(2-fluoropropan-2-yl)-1,2-oxazole.
What is the SMILES notation for 3-(2-fluoropropan-2-yl)-1,2-oxazole?
The canonical SMILES for 3-(2-fluoropropan-2-yl)-1,2-oxazole is CC(C)(F)c1ccon1.
What is the InChIKey of 3-(2-fluoropropan-2-yl)-1,2-oxazole?
The InChIKey is RIDYPNWOSNZIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FNO/c1-6(2,7)5-3-4-9-8-5/h3-4H,1-2H3.
What are the key properties of 3-(2-fluoropropan-2-yl)-1,2-oxazole?
3-(2-fluoropropan-2-yl)-1,2-oxazole has a molecular weight of 129.13 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoropropan-2-yl)-1,2-oxazole is sourced from PubChem (CID 91289253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).