2,2,2-trifluoro-1-(2H-pyran-2-yl)ethanone

C7H5F3O2 — CID 162536770

IUPAC2,2,2-trifluoro-1-(2H-pyran-2-yl)ethanone
SMILESO=C(C1C=CC=CO1)C(F)(F)F
InChIInChI=1S/C7H5F3O2/c8-7(9,10)6(11)5-3-1-2-4-12-5/h1-5H
InChIKeyLJSFZYJMWUESFC-UHFFFAOYSA-N
MW178.11 g/mol
LogP1.59
Rot. Bonds1

About 2,2,2-trifluoro-1-(2H-pyran-2-yl)ethanone

2,2,2-trifluoro-1-(2H-pyran-2-yl)ethanone (PubChem CID 162536770) has the molecular formula C7H5F3O2 and a molecular weight of 178.11 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(2H-pyran-2-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(2H-pyran-2-yl)ethanone
PubChem CID162536770
Molecular FormulaC7H5F3O2
Molecular Weight178.11 g/mol
Exact Mass178.02
IUPAC Name2,2,2-trifluoro-1-(2H-pyran-2-yl)ethanone
SMILESO=C(C1C=CC=CO1)C(F)(F)F
InChIInChI=1S/C7H5F3O2/c8-7(9,10)6(11)5-3-1-2-4-12-5/h1-5H
InChIKeyLJSFZYJMWUESFC-UHFFFAOYSA-N
XLogP1.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.11
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(2H-pyran-2-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(2H-pyran-2-yl)ethanone (CID 162536770) is 2,2,2-trifluoro-1-(2H-pyran-2-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(2H-pyran-2-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(2H-pyran-2-yl)ethanone is O=C(C1C=CC=CO1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(2H-pyran-2-yl)ethanone?
The InChIKey is LJSFZYJMWUESFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3O2/c8-7(9,10)6(11)5-3-1-2-4-12-5/h1-5H.
What are the key properties of 2,2,2-trifluoro-1-(2H-pyran-2-yl)ethanone?
2,2,2-trifluoro-1-(2H-pyran-2-yl)ethanone has a molecular weight of 178.11 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(2H-pyran-2-yl)ethanone is sourced from PubChem (CID 162536770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).