2-(2,2,2-trifluoroethyl)-2H-furan-5-one

C6H5F3O2 — CID 91052440

IUPAC2-(2,2,2-trifluoroethyl)-2H-furan-5-one
SMILESO=C1C=CC(CC(F)(F)F)O1
InChIInChI=1S/C6H5F3O2/c7-6(8,9)3-4-1-2-5(10)11-4/h1-2,4H,3H2
InChIKeyFYYLWXDIFOZUGI-UHFFFAOYSA-N
MW166.10 g/mol
LogP1.42
Rot. Bonds1

About 2-(2,2,2-trifluoroethyl)-2H-furan-5-one

2-(2,2,2-trifluoroethyl)-2H-furan-5-one (PubChem CID 91052440) has the molecular formula C6H5F3O2 and a molecular weight of 166.10 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethyl)-2H-furan-5-one.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethyl)-2H-furan-5-one
PubChem CID91052440
Molecular FormulaC6H5F3O2
Molecular Weight166.10 g/mol
Exact Mass166.02
IUPAC Name2-(2,2,2-trifluoroethyl)-2H-furan-5-one
SMILESO=C1C=CC(CC(F)(F)F)O1
InChIInChI=1S/C6H5F3O2/c7-6(8,9)3-4-1-2-5(10)11-4/h1-2,4H,3H2
InChIKeyFYYLWXDIFOZUGI-UHFFFAOYSA-N
XLogP1.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.10
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethyl)-2H-furan-5-one?
The IUPAC name of 2-(2,2,2-trifluoroethyl)-2H-furan-5-one (CID 91052440) is 2-(2,2,2-trifluoroethyl)-2H-furan-5-one.
What is the SMILES notation for 2-(2,2,2-trifluoroethyl)-2H-furan-5-one?
The canonical SMILES for 2-(2,2,2-trifluoroethyl)-2H-furan-5-one is O=C1C=CC(CC(F)(F)F)O1.
What is the InChIKey of 2-(2,2,2-trifluoroethyl)-2H-furan-5-one?
The InChIKey is FYYLWXDIFOZUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3O2/c7-6(8,9)3-4-1-2-5(10)11-4/h1-2,4H,3H2.
What are the key properties of 2-(2,2,2-trifluoroethyl)-2H-furan-5-one?
2-(2,2,2-trifluoroethyl)-2H-furan-5-one has a molecular weight of 166.10 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethyl)-2H-furan-5-one is sourced from PubChem (CID 91052440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).