[4-methyl-5-oxo-3-propan-2-yloxy-2-(trifluoromethyl)furan-2-yl] acetate

C11H13F3O5 — CID 132937785

IUPAC[4-methyl-5-oxo-3-propan-2-yloxy-2-(trifluoromethyl)furan-2-yl] acetate
SMILESCC(=O)OC1(C(F)(F)F)OC(=O)C(C)=C1OC(C)C
InChIInChI=1S/C11H13F3O5/c1-5(2)17-8-6(3)9(16)19-10(8,11(12,13)14)18-7(4)15/h5H,1-4H3
InChIKeyGCKVZFSQZQNRDL-UHFFFAOYSA-N
MW282.21 g/mol
LogP2.06
Rot. Bonds3

About [4-methyl-5-oxo-3-propan-2-yloxy-2-(trifluoromethyl)furan-2-yl] acetate

[4-methyl-5-oxo-3-propan-2-yloxy-2-(trifluoromethyl)furan-2-yl] acetate (PubChem CID 132937785) has the molecular formula C11H13F3O5 and a molecular weight of 282.21 g/mol. Its IUPAC name is [4-methyl-5-oxo-3-propan-2-yloxy-2-(trifluoromethyl)furan-2-yl] acetate.

Molecular Properties

Compound Name[4-methyl-5-oxo-3-propan-2-yloxy-2-(trifluoromethyl)furan-2-yl] acetate
PubChem CID132937785
Molecular FormulaC11H13F3O5
Molecular Weight282.21 g/mol
Exact Mass282.07
IUPAC Name[4-methyl-5-oxo-3-propan-2-yloxy-2-(trifluoromethyl)furan-2-yl] acetate
SMILESCC(=O)OC1(C(F)(F)F)OC(=O)C(C)=C1OC(C)C
InChIInChI=1S/C11H13F3O5/c1-5(2)17-8-6(3)9(16)19-10(8,11(12,13)14)18-7(4)15/h5H,1-4H3
InChIKeyGCKVZFSQZQNRDL-UHFFFAOYSA-N
XLogP2.06
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.21
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-5-oxo-3-propan-2-yloxy-2-(trifluoromethyl)furan-2-yl] acetate?
The IUPAC name of [4-methyl-5-oxo-3-propan-2-yloxy-2-(trifluoromethyl)furan-2-yl] acetate (CID 132937785) is [4-methyl-5-oxo-3-propan-2-yloxy-2-(trifluoromethyl)furan-2-yl] acetate.
What is the SMILES notation for [4-methyl-5-oxo-3-propan-2-yloxy-2-(trifluoromethyl)furan-2-yl] acetate?
The canonical SMILES for [4-methyl-5-oxo-3-propan-2-yloxy-2-(trifluoromethyl)furan-2-yl] acetate is CC(=O)OC1(C(F)(F)F)OC(=O)C(C)=C1OC(C)C.
What is the InChIKey of [4-methyl-5-oxo-3-propan-2-yloxy-2-(trifluoromethyl)furan-2-yl] acetate?
The InChIKey is GCKVZFSQZQNRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O5/c1-5(2)17-8-6(3)9(16)19-10(8,11(12,13)14)18-7(4)15/h5H,1-4H3.
What are the key properties of [4-methyl-5-oxo-3-propan-2-yloxy-2-(trifluoromethyl)furan-2-yl] acetate?
[4-methyl-5-oxo-3-propan-2-yloxy-2-(trifluoromethyl)furan-2-yl] acetate has a molecular weight of 282.21 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-5-oxo-3-propan-2-yloxy-2-(trifluoromethyl)furan-2-yl] acetate is sourced from PubChem (CID 132937785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).