3-(2-fluoroethyl)-4-propan-2-yl-1,2-oxazole

C8H12FNO — CID 166500479

IUPAC3-(2-fluoroethyl)-4-propan-2-yl-1,2-oxazole
SMILESCC(C)c1conc1CCF
InChIInChI=1S/C8H12FNO/c1-6(2)7-5-11-10-8(7)3-4-9/h5-6H,3-4H2,1-2H3
InChIKeyJPHSINFHEIYPDW-UHFFFAOYSA-N
MW157.19 g/mol
LogP2.31
Rot. Bonds3

About 3-(2-fluoroethyl)-4-propan-2-yl-1,2-oxazole

3-(2-fluoroethyl)-4-propan-2-yl-1,2-oxazole (PubChem CID 166500479) has the molecular formula C8H12FNO and a molecular weight of 157.19 g/mol. Its IUPAC name is 3-(2-fluoroethyl)-4-propan-2-yl-1,2-oxazole.

Molecular Properties

Compound Name3-(2-fluoroethyl)-4-propan-2-yl-1,2-oxazole
PubChem CID166500479
Molecular FormulaC8H12FNO
Molecular Weight157.19 g/mol
Exact Mass157.09
IUPAC Name3-(2-fluoroethyl)-4-propan-2-yl-1,2-oxazole
SMILESCC(C)c1conc1CCF
InChIInChI=1S/C8H12FNO/c1-6(2)7-5-11-10-8(7)3-4-9/h5-6H,3-4H2,1-2H3
InChIKeyJPHSINFHEIYPDW-UHFFFAOYSA-N
XLogP2.31
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethyl)-4-propan-2-yl-1,2-oxazole?
The IUPAC name of 3-(2-fluoroethyl)-4-propan-2-yl-1,2-oxazole (CID 166500479) is 3-(2-fluoroethyl)-4-propan-2-yl-1,2-oxazole.
What is the SMILES notation for 3-(2-fluoroethyl)-4-propan-2-yl-1,2-oxazole?
The canonical SMILES for 3-(2-fluoroethyl)-4-propan-2-yl-1,2-oxazole is CC(C)c1conc1CCF.
What is the InChIKey of 3-(2-fluoroethyl)-4-propan-2-yl-1,2-oxazole?
The InChIKey is JPHSINFHEIYPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNO/c1-6(2)7-5-11-10-8(7)3-4-9/h5-6H,3-4H2,1-2H3.
What are the key properties of 3-(2-fluoroethyl)-4-propan-2-yl-1,2-oxazole?
3-(2-fluoroethyl)-4-propan-2-yl-1,2-oxazole has a molecular weight of 157.19 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethyl)-4-propan-2-yl-1,2-oxazole is sourced from PubChem (CID 166500479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).