4-(2-fluoroethyl)-3-methyl-1,2-oxazole

C6H8FNO — CID 57103268

IUPAC4-(2-fluoroethyl)-3-methyl-1,2-oxazole
SMILESCc1nocc1CCF
InChIInChI=1S/C6H8FNO/c1-5-6(2-3-7)4-9-8-5/h4H,2-3H2,1H3
InChIKeyHGLGHYQFOVNMRG-UHFFFAOYSA-N
MW129.13 g/mol
LogP1.50
Rot. Bonds2

About 4-(2-fluoroethyl)-3-methyl-1,2-oxazole

4-(2-fluoroethyl)-3-methyl-1,2-oxazole (PubChem CID 57103268) has the molecular formula C6H8FNO and a molecular weight of 129.13 g/mol. Its IUPAC name is 4-(2-fluoroethyl)-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name4-(2-fluoroethyl)-3-methyl-1,2-oxazole
PubChem CID57103268
Molecular FormulaC6H8FNO
Molecular Weight129.13 g/mol
Exact Mass129.06
IUPAC Name4-(2-fluoroethyl)-3-methyl-1,2-oxazole
SMILESCc1nocc1CCF
InChIInChI=1S/C6H8FNO/c1-5-6(2-3-7)4-9-8-5/h4H,2-3H2,1H3
InChIKeyHGLGHYQFOVNMRG-UHFFFAOYSA-N
XLogP1.50
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.13
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethyl)-3-methyl-1,2-oxazole?
The IUPAC name of 4-(2-fluoroethyl)-3-methyl-1,2-oxazole (CID 57103268) is 4-(2-fluoroethyl)-3-methyl-1,2-oxazole.
What is the SMILES notation for 4-(2-fluoroethyl)-3-methyl-1,2-oxazole?
The canonical SMILES for 4-(2-fluoroethyl)-3-methyl-1,2-oxazole is Cc1nocc1CCF.
What is the InChIKey of 4-(2-fluoroethyl)-3-methyl-1,2-oxazole?
The InChIKey is HGLGHYQFOVNMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FNO/c1-5-6(2-3-7)4-9-8-5/h4H,2-3H2,1H3.
What are the key properties of 4-(2-fluoroethyl)-3-methyl-1,2-oxazole?
4-(2-fluoroethyl)-3-methyl-1,2-oxazole has a molecular weight of 129.13 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethyl)-3-methyl-1,2-oxazole is sourced from PubChem (CID 57103268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).