4,4,4-trifluoro-1-(5-methyl-1,2-oxazol-3-yl)butan-1-one

C8H8F3NO2 — CID 161184426

IUPAC4,4,4-trifluoro-1-(5-methyl-1,2-oxazol-3-yl)butan-1-one
SMILESCc1cc(C(=O)CCC(F)(F)F)no1
InChIInChI=1S/C8H8F3NO2/c1-5-4-6(12-14-5)7(13)2-3-8(9,10)11/h4H,2-3H2,1H3
InChIKeyUSWXZVFJBRDJLU-UHFFFAOYSA-N
MW207.15 g/mol
LogP2.51
Rot. Bonds3

About 4,4,4-trifluoro-1-(5-methyl-1,2-oxazol-3-yl)butan-1-one

4,4,4-trifluoro-1-(5-methyl-1,2-oxazol-3-yl)butan-1-one (PubChem CID 161184426) has the molecular formula C8H8F3NO2 and a molecular weight of 207.15 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(5-methyl-1,2-oxazol-3-yl)butan-1-one.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(5-methyl-1,2-oxazol-3-yl)butan-1-one
PubChem CID161184426
Molecular FormulaC8H8F3NO2
Molecular Weight207.15 g/mol
Exact Mass207.05
IUPAC Name4,4,4-trifluoro-1-(5-methyl-1,2-oxazol-3-yl)butan-1-one
SMILESCc1cc(C(=O)CCC(F)(F)F)no1
InChIInChI=1S/C8H8F3NO2/c1-5-4-6(12-14-5)7(13)2-3-8(9,10)11/h4H,2-3H2,1H3
InChIKeyUSWXZVFJBRDJLU-UHFFFAOYSA-N
XLogP2.51
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(5-methyl-1,2-oxazol-3-yl)butan-1-one?
The IUPAC name of 4,4,4-trifluoro-1-(5-methyl-1,2-oxazol-3-yl)butan-1-one (CID 161184426) is 4,4,4-trifluoro-1-(5-methyl-1,2-oxazol-3-yl)butan-1-one.
What is the SMILES notation for 4,4,4-trifluoro-1-(5-methyl-1,2-oxazol-3-yl)butan-1-one?
The canonical SMILES for 4,4,4-trifluoro-1-(5-methyl-1,2-oxazol-3-yl)butan-1-one is Cc1cc(C(=O)CCC(F)(F)F)no1.
What is the InChIKey of 4,4,4-trifluoro-1-(5-methyl-1,2-oxazol-3-yl)butan-1-one?
The InChIKey is USWXZVFJBRDJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO2/c1-5-4-6(12-14-5)7(13)2-3-8(9,10)11/h4H,2-3H2,1H3.
What are the key properties of 4,4,4-trifluoro-1-(5-methyl-1,2-oxazol-3-yl)butan-1-one?
4,4,4-trifluoro-1-(5-methyl-1,2-oxazol-3-yl)butan-1-one has a molecular weight of 207.15 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(5-methyl-1,2-oxazol-3-yl)butan-1-one is sourced from PubChem (CID 161184426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).