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

C6H8F3NO — CID 175862101

IUPAC3,4,4-tris(fluoromethyl)-5H-1,2-oxazole
SMILESFCC1=NOCC1(CF)CF
InChIInChI=1S/C6H8F3NO/c7-1-5-6(2-8,3-9)4-11-10-5/h1-4H2
InChIKeyUVBFJAMCQHQWRQ-UHFFFAOYSA-N
MW167.13 g/mol
LogP1.27
Rot. Bonds3

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

3,4,4-tris(fluoromethyl)-5H-1,2-oxazole (PubChem CID 175862101) has the molecular formula C6H8F3NO and a molecular weight of 167.13 g/mol. Its IUPAC name is 3,4,4-tris(fluoromethyl)-5H-1,2-oxazole.

Molecular Properties

Compound Name3,4,4-tris(fluoromethyl)-5H-1,2-oxazole
PubChem CID175862101
Molecular FormulaC6H8F3NO
Molecular Weight167.13 g/mol
Exact Mass167.06
IUPAC Name3,4,4-tris(fluoromethyl)-5H-1,2-oxazole
SMILESFCC1=NOCC1(CF)CF
InChIInChI=1S/C6H8F3NO/c7-1-5-6(2-8,3-9)4-11-10-5/h1-4H2
InChIKeyUVBFJAMCQHQWRQ-UHFFFAOYSA-N
XLogP1.27
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,4-tris(fluoromethyl)-5H-1,2-oxazole?
The IUPAC name of 3,4,4-tris(fluoromethyl)-5H-1,2-oxazole (CID 175862101) is 3,4,4-tris(fluoromethyl)-5H-1,2-oxazole.
What is the SMILES notation for 3,4,4-tris(fluoromethyl)-5H-1,2-oxazole?
The canonical SMILES for 3,4,4-tris(fluoromethyl)-5H-1,2-oxazole is FCC1=NOCC1(CF)CF.
What is the InChIKey of 3,4,4-tris(fluoromethyl)-5H-1,2-oxazole?
The InChIKey is UVBFJAMCQHQWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO/c7-1-5-6(2-8,3-9)4-11-10-5/h1-4H2.
What are the key properties of 3,4,4-tris(fluoromethyl)-5H-1,2-oxazole?
3,4,4-tris(fluoromethyl)-5H-1,2-oxazole has a molecular weight of 167.13 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4-tris(fluoromethyl)-5H-1,2-oxazole is sourced from PubChem (CID 175862101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).