3-(1,1-difluoro-2-methylpropyl)-1,2-oxazole

C7H9F2NO — CID 166858335

IUPAC3-(1,1-difluoro-2-methylpropyl)-1,2-oxazole
SMILESCC(C)C(F)(F)c1ccon1
InChIInChI=1S/C7H9F2NO/c1-5(2)7(8,9)6-3-4-11-10-6/h3-5H,1-2H3
InChIKeyGQVHZCBQPASHSD-UHFFFAOYSA-N
MW161.15 g/mol
LogP2.42
Rot. Bonds2

About 3-(1,1-difluoro-2-methylpropyl)-1,2-oxazole

3-(1,1-difluoro-2-methylpropyl)-1,2-oxazole (PubChem CID 166858335) has the molecular formula C7H9F2NO and a molecular weight of 161.15 g/mol. Its IUPAC name is 3-(1,1-difluoro-2-methylpropyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(1,1-difluoro-2-methylpropyl)-1,2-oxazole
PubChem CID166858335
Molecular FormulaC7H9F2NO
Molecular Weight161.15 g/mol
Exact Mass161.07
IUPAC Name3-(1,1-difluoro-2-methylpropyl)-1,2-oxazole
SMILESCC(C)C(F)(F)c1ccon1
InChIInChI=1S/C7H9F2NO/c1-5(2)7(8,9)6-3-4-11-10-6/h3-5H,1-2H3
InChIKeyGQVHZCBQPASHSD-UHFFFAOYSA-N
XLogP2.42
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.15
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoro-2-methylpropyl)-1,2-oxazole?
The IUPAC name of 3-(1,1-difluoro-2-methylpropyl)-1,2-oxazole (CID 166858335) is 3-(1,1-difluoro-2-methylpropyl)-1,2-oxazole.
What is the SMILES notation for 3-(1,1-difluoro-2-methylpropyl)-1,2-oxazole?
The canonical SMILES for 3-(1,1-difluoro-2-methylpropyl)-1,2-oxazole is CC(C)C(F)(F)c1ccon1.
What is the InChIKey of 3-(1,1-difluoro-2-methylpropyl)-1,2-oxazole?
The InChIKey is GQVHZCBQPASHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2NO/c1-5(2)7(8,9)6-3-4-11-10-6/h3-5H,1-2H3.
What are the key properties of 3-(1,1-difluoro-2-methylpropyl)-1,2-oxazole?
3-(1,1-difluoro-2-methylpropyl)-1,2-oxazole has a molecular weight of 161.15 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoro-2-methylpropyl)-1,2-oxazole is sourced from PubChem (CID 166858335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).