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

C6H7F2NO — CID 175901045

IUPAC3-(1,3-difluoropropan-2-yl)-1,2-oxazole
SMILESFCC(CF)c1ccon1
InChIInChI=1S/C6H7F2NO/c7-3-5(4-8)6-1-2-10-9-6/h1-2,5H,3-4H2
InChIKeyVNAABURYGGPDOU-UHFFFAOYSA-N
MW147.12 g/mol
LogP1.70
Rot. Bonds3

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

3-(1,3-difluoropropan-2-yl)-1,2-oxazole (PubChem CID 175901045) has the molecular formula C6H7F2NO and a molecular weight of 147.12 g/mol. Its IUPAC name is 3-(1,3-difluoropropan-2-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-(1,3-difluoropropan-2-yl)-1,2-oxazole
PubChem CID175901045
Molecular FormulaC6H7F2NO
Molecular Weight147.12 g/mol
Exact Mass147.05
IUPAC Name3-(1,3-difluoropropan-2-yl)-1,2-oxazole
SMILESFCC(CF)c1ccon1
InChIInChI=1S/C6H7F2NO/c7-3-5(4-8)6-1-2-10-9-6/h1-2,5H,3-4H2
InChIKeyVNAABURYGGPDOU-UHFFFAOYSA-N
XLogP1.70
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.12
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-difluoropropan-2-yl)-1,2-oxazole?
The IUPAC name of 3-(1,3-difluoropropan-2-yl)-1,2-oxazole (CID 175901045) is 3-(1,3-difluoropropan-2-yl)-1,2-oxazole.
What is the SMILES notation for 3-(1,3-difluoropropan-2-yl)-1,2-oxazole?
The canonical SMILES for 3-(1,3-difluoropropan-2-yl)-1,2-oxazole is FCC(CF)c1ccon1.
What is the InChIKey of 3-(1,3-difluoropropan-2-yl)-1,2-oxazole?
The InChIKey is VNAABURYGGPDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2NO/c7-3-5(4-8)6-1-2-10-9-6/h1-2,5H,3-4H2.
What are the key properties of 3-(1,3-difluoropropan-2-yl)-1,2-oxazole?
3-(1,3-difluoropropan-2-yl)-1,2-oxazole has a molecular weight of 147.12 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-difluoropropan-2-yl)-1,2-oxazole is sourced from PubChem (CID 175901045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).