1-(2,3-dihydrofuran-2-yl)-2,2,2-trifluoroethanone

C6H5F3O2 — CID 162613657

IUPAC1-(2,3-dihydrofuran-2-yl)-2,2,2-trifluoroethanone
SMILESO=C(C1CC=CO1)C(F)(F)F
InChIInChI=1S/C6H5F3O2/c7-6(8,9)5(10)4-2-1-3-11-4/h1,3-4H,2H2
InChIKeySIQWZQBIKDCGCH-UHFFFAOYSA-N
MW166.10 g/mol
LogP1.42
Rot. Bonds1

About 1-(2,3-dihydrofuran-2-yl)-2,2,2-trifluoroethanone

1-(2,3-dihydrofuran-2-yl)-2,2,2-trifluoroethanone (PubChem CID 162613657) has the molecular formula C6H5F3O2 and a molecular weight of 166.10 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-2-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-2-yl)-2,2,2-trifluoroethanone
PubChem CID162613657
Molecular FormulaC6H5F3O2
Molecular Weight166.10 g/mol
Exact Mass166.02
IUPAC Name1-(2,3-dihydrofuran-2-yl)-2,2,2-trifluoroethanone
SMILESO=C(C1CC=CO1)C(F)(F)F
InChIInChI=1S/C6H5F3O2/c7-6(8,9)5(10)4-2-1-3-11-4/h1,3-4H,2H2
InChIKeySIQWZQBIKDCGCH-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 1-(2,3-dihydrofuran-2-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(2,3-dihydrofuran-2-yl)-2,2,2-trifluoroethanone (CID 162613657) is 1-(2,3-dihydrofuran-2-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(2,3-dihydrofuran-2-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(2,3-dihydrofuran-2-yl)-2,2,2-trifluoroethanone is O=C(C1CC=CO1)C(F)(F)F.
What is the InChIKey of 1-(2,3-dihydrofuran-2-yl)-2,2,2-trifluoroethanone?
The InChIKey is SIQWZQBIKDCGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3O2/c7-6(8,9)5(10)4-2-1-3-11-4/h1,3-4H,2H2.
What are the key properties of 1-(2,3-dihydrofuran-2-yl)-2,2,2-trifluoroethanone?
1-(2,3-dihydrofuran-2-yl)-2,2,2-trifluoroethanone 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 1-(2,3-dihydrofuran-2-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 162613657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).