5-tert-butyl-4-(difluoromethyl)-2-fluoro-1,3-oxazole

C8H10F3NO — CID 153449522

IUPAC5-tert-butyl-4-(difluoromethyl)-2-fluoro-1,3-oxazole
SMILESCC(C)(C)c1oc(F)nc1C(F)F
InChIInChI=1S/C8H10F3NO/c1-8(2,3)5-4(6(9)10)12-7(11)13-5/h6H,1-3H3
InChIKeyHTJYFCXRHOBJFX-UHFFFAOYSA-N
MW193.17 g/mol
LogP3.05
Rot. Bonds1

About 5-tert-butyl-4-(difluoromethyl)-2-fluoro-1,3-oxazole

5-tert-butyl-4-(difluoromethyl)-2-fluoro-1,3-oxazole (PubChem CID 153449522) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is 5-tert-butyl-4-(difluoromethyl)-2-fluoro-1,3-oxazole.

Molecular Properties

Compound Name5-tert-butyl-4-(difluoromethyl)-2-fluoro-1,3-oxazole
PubChem CID153449522
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC Name5-tert-butyl-4-(difluoromethyl)-2-fluoro-1,3-oxazole
SMILESCC(C)(C)c1oc(F)nc1C(F)F
InChIInChI=1S/C8H10F3NO/c1-8(2,3)5-4(6(9)10)12-7(11)13-5/h6H,1-3H3
InChIKeyHTJYFCXRHOBJFX-UHFFFAOYSA-N
XLogP3.05
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-(difluoromethyl)-2-fluoro-1,3-oxazole?
The IUPAC name of 5-tert-butyl-4-(difluoromethyl)-2-fluoro-1,3-oxazole (CID 153449522) is 5-tert-butyl-4-(difluoromethyl)-2-fluoro-1,3-oxazole.
What is the SMILES notation for 5-tert-butyl-4-(difluoromethyl)-2-fluoro-1,3-oxazole?
The canonical SMILES for 5-tert-butyl-4-(difluoromethyl)-2-fluoro-1,3-oxazole is CC(C)(C)c1oc(F)nc1C(F)F.
What is the InChIKey of 5-tert-butyl-4-(difluoromethyl)-2-fluoro-1,3-oxazole?
The InChIKey is HTJYFCXRHOBJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO/c1-8(2,3)5-4(6(9)10)12-7(11)13-5/h6H,1-3H3.
What are the key properties of 5-tert-butyl-4-(difluoromethyl)-2-fluoro-1,3-oxazole?
5-tert-butyl-4-(difluoromethyl)-2-fluoro-1,3-oxazole has a molecular weight of 193.17 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-(difluoromethyl)-2-fluoro-1,3-oxazole is sourced from PubChem (CID 153449522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).