2-(2,2,2-trifluoroethyl)-2,3-dihydropyran-4-one

C7H7F3O2 — CID 118366718

IUPAC2-(2,2,2-trifluoroethyl)-2,3-dihydropyran-4-one
SMILESO=C1C=COC(CC(F)(F)F)C1
InChIInChI=1S/C7H7F3O2/c8-7(9,10)4-6-3-5(11)1-2-12-6/h1-2,6H,3-4H2
InChIKeyIEMUVPPISBIVBC-UHFFFAOYSA-N
MW180.12 g/mol
LogP1.81
Rot. Bonds1

About 2-(2,2,2-trifluoroethyl)-2,3-dihydropyran-4-one

2-(2,2,2-trifluoroethyl)-2,3-dihydropyran-4-one (PubChem CID 118366718) has the molecular formula C7H7F3O2 and a molecular weight of 180.12 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethyl)-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethyl)-2,3-dihydropyran-4-one
PubChem CID118366718
Molecular FormulaC7H7F3O2
Molecular Weight180.12 g/mol
Exact Mass180.04
IUPAC Name2-(2,2,2-trifluoroethyl)-2,3-dihydropyran-4-one
SMILESO=C1C=COC(CC(F)(F)F)C1
InChIInChI=1S/C7H7F3O2/c8-7(9,10)4-6-3-5(11)1-2-12-6/h1-2,6H,3-4H2
InChIKeyIEMUVPPISBIVBC-UHFFFAOYSA-N
XLogP1.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.12
LogP ≤ 51.81
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)-2,3-dihydropyran-4-one?
The IUPAC name of 2-(2,2,2-trifluoroethyl)-2,3-dihydropyran-4-one (CID 118366718) is 2-(2,2,2-trifluoroethyl)-2,3-dihydropyran-4-one.
What is the SMILES notation for 2-(2,2,2-trifluoroethyl)-2,3-dihydropyran-4-one?
The canonical SMILES for 2-(2,2,2-trifluoroethyl)-2,3-dihydropyran-4-one is O=C1C=COC(CC(F)(F)F)C1.
What is the InChIKey of 2-(2,2,2-trifluoroethyl)-2,3-dihydropyran-4-one?
The InChIKey is IEMUVPPISBIVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3O2/c8-7(9,10)4-6-3-5(11)1-2-12-6/h1-2,6H,3-4H2.
What are the key properties of 2-(2,2,2-trifluoroethyl)-2,3-dihydropyran-4-one?
2-(2,2,2-trifluoroethyl)-2,3-dihydropyran-4-one has a molecular weight of 180.12 g/mol, XLogP of 1.81, 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)-2,3-dihydropyran-4-one is sourced from PubChem (CID 118366718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).