3-(fluoromethyl)-5-methyl-5-(trifluoromethyl)-4H-1,2-oxazole

C6H7F4NO — CID 90303046

IUPAC3-(fluoromethyl)-5-methyl-5-(trifluoromethyl)-4H-1,2-oxazole
SMILESCC1(C(F)(F)F)CC(CF)=NO1
InChIInChI=1S/C6H7F4NO/c1-5(6(8,9)10)2-4(3-7)11-12-5/h2-3H2,1H3
InChIKeyNBIKLOJDEKMFJD-UHFFFAOYSA-N
MW185.12 g/mol
LogP2.05
Rot. Bonds1

About 3-(fluoromethyl)-5-methyl-5-(trifluoromethyl)-4H-1,2-oxazole

3-(fluoromethyl)-5-methyl-5-(trifluoromethyl)-4H-1,2-oxazole (PubChem CID 90303046) has the molecular formula C6H7F4NO and a molecular weight of 185.12 g/mol. Its IUPAC name is 3-(fluoromethyl)-5-methyl-5-(trifluoromethyl)-4H-1,2-oxazole.

Molecular Properties

Compound Name3-(fluoromethyl)-5-methyl-5-(trifluoromethyl)-4H-1,2-oxazole
PubChem CID90303046
Molecular FormulaC6H7F4NO
Molecular Weight185.12 g/mol
Exact Mass185.05
IUPAC Name3-(fluoromethyl)-5-methyl-5-(trifluoromethyl)-4H-1,2-oxazole
SMILESCC1(C(F)(F)F)CC(CF)=NO1
InChIInChI=1S/C6H7F4NO/c1-5(6(8,9)10)2-4(3-7)11-12-5/h2-3H2,1H3
InChIKeyNBIKLOJDEKMFJD-UHFFFAOYSA-N
XLogP2.05
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.12
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-5-methyl-5-(trifluoromethyl)-4H-1,2-oxazole?
The IUPAC name of 3-(fluoromethyl)-5-methyl-5-(trifluoromethyl)-4H-1,2-oxazole (CID 90303046) is 3-(fluoromethyl)-5-methyl-5-(trifluoromethyl)-4H-1,2-oxazole.
What is the SMILES notation for 3-(fluoromethyl)-5-methyl-5-(trifluoromethyl)-4H-1,2-oxazole?
The canonical SMILES for 3-(fluoromethyl)-5-methyl-5-(trifluoromethyl)-4H-1,2-oxazole is CC1(C(F)(F)F)CC(CF)=NO1.
What is the InChIKey of 3-(fluoromethyl)-5-methyl-5-(trifluoromethyl)-4H-1,2-oxazole?
The InChIKey is NBIKLOJDEKMFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F4NO/c1-5(6(8,9)10)2-4(3-7)11-12-5/h2-3H2,1H3.
What are the key properties of 3-(fluoromethyl)-5-methyl-5-(trifluoromethyl)-4H-1,2-oxazole?
3-(fluoromethyl)-5-methyl-5-(trifluoromethyl)-4H-1,2-oxazole has a molecular weight of 185.12 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-5-methyl-5-(trifluoromethyl)-4H-1,2-oxazole is sourced from PubChem (CID 90303046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).