2,2,2-trifluoro-1-(4-methyl-1,3-oxazol-2-yl)ethanone

C6H4F3NO2 — CID 18936312

IUPAC2,2,2-trifluoro-1-(4-methyl-1,3-oxazol-2-yl)ethanone
SMILESCc1coc(C(=O)C(F)(F)F)n1
InChIInChI=1S/C6H4F3NO2/c1-3-2-12-5(10-3)4(11)6(7,8)9/h2H,1H3
InChIKeyJZQUPBRFMXXGEB-UHFFFAOYSA-N
MW179.10 g/mol
LogP1.73
Rot. Bonds1

About 2,2,2-trifluoro-1-(4-methyl-1,3-oxazol-2-yl)ethanone

2,2,2-trifluoro-1-(4-methyl-1,3-oxazol-2-yl)ethanone (PubChem CID 18936312) has the molecular formula C6H4F3NO2 and a molecular weight of 179.10 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(4-methyl-1,3-oxazol-2-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(4-methyl-1,3-oxazol-2-yl)ethanone
PubChem CID18936312
Molecular FormulaC6H4F3NO2
Molecular Weight179.10 g/mol
Exact Mass179.02
IUPAC Name2,2,2-trifluoro-1-(4-methyl-1,3-oxazol-2-yl)ethanone
SMILESCc1coc(C(=O)C(F)(F)F)n1
InChIInChI=1S/C6H4F3NO2/c1-3-2-12-5(10-3)4(11)6(7,8)9/h2H,1H3
InChIKeyJZQUPBRFMXXGEB-UHFFFAOYSA-N
XLogP1.73
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.10
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-Dimethyloxazole
CID 138961
4-Methyl-2-propyl-1,3-oxazole
CID 528409
2-Ethyl-4-methyloxazole
CID 528405
1-(4-Methyl-1,3-oxazol-2-yl)ethan-1-one
CID 13159077
4-Methyl-1,3-oxazole-2-carbaldehyde
CID 14920524
4,5-Dimethyl-1,3-oxazole-2-carbaldehyde
CID 14920525
4-Ethyl-1,3-oxazole-2-carbaldehyde
CID 58884863
Sodium 4-methyl-1,3-oxazole-2-carboxylate
CID 132344047
Bis(trifluoromethyl)oxazole
CID 129816300
4-(Bromomethyl)-2-(difluoromethyl)-1,3-oxazole
CID 132992786
1-(4,5-Dimethyl-1,3-oxazol-2-yl)-2,2,2-trifluoroethan-1-one
CID 83389104
4-(Trifluoromethyl)-1,3-oxazole-2-carboxamide
CID 21928633

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(4-methyl-1,3-oxazol-2-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(4-methyl-1,3-oxazol-2-yl)ethanone (CID 18936312) is 2,2,2-trifluoro-1-(4-methyl-1,3-oxazol-2-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(4-methyl-1,3-oxazol-2-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(4-methyl-1,3-oxazol-2-yl)ethanone is Cc1coc(C(=O)C(F)(F)F)n1.
What is the InChIKey of 2,2,2-trifluoro-1-(4-methyl-1,3-oxazol-2-yl)ethanone?
The InChIKey is JZQUPBRFMXXGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NO2/c1-3-2-12-5(10-3)4(11)6(7,8)9/h2H,1H3.
What are the key properties of 2,2,2-trifluoro-1-(4-methyl-1,3-oxazol-2-yl)ethanone?
2,2,2-trifluoro-1-(4-methyl-1,3-oxazol-2-yl)ethanone has a molecular weight of 179.10 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(4-methyl-1,3-oxazol-2-yl)ethanone is sourced from PubChem (CID 18936312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).