1-(2,3-dihydrofuran-4-yl)-3,3,3-trifluoropropan-1-one

C7H7F3O2 — CID 130579209

IUPAC1-(2,3-dihydrofuran-4-yl)-3,3,3-trifluoropropan-1-one
SMILESO=C(CC(F)(F)F)C1=COCC1
InChIInChI=1S/C7H7F3O2/c8-7(9,10)3-6(11)5-1-2-12-4-5/h4H,1-3H2
InChIKeyGSEMAGGLCJHFFZ-UHFFFAOYSA-N
MW180.12 g/mol
LogP1.81
Rot. Bonds2

About 1-(2,3-dihydrofuran-4-yl)-3,3,3-trifluoropropan-1-one

1-(2,3-dihydrofuran-4-yl)-3,3,3-trifluoropropan-1-one (PubChem CID 130579209) has the molecular formula C7H7F3O2 and a molecular weight of 180.12 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-4-yl)-3,3,3-trifluoropropan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-4-yl)-3,3,3-trifluoropropan-1-one
PubChem CID130579209
Molecular FormulaC7H7F3O2
Molecular Weight180.12 g/mol
Exact Mass180.04
IUPAC Name1-(2,3-dihydrofuran-4-yl)-3,3,3-trifluoropropan-1-one
SMILESO=C(CC(F)(F)F)C1=COCC1
InChIInChI=1S/C7H7F3O2/c8-7(9,10)3-6(11)5-1-2-12-4-5/h4H,1-3H2
InChIKeyGSEMAGGLCJHFFZ-UHFFFAOYSA-N
XLogP1.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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 1-(2,3-dihydrofuran-4-yl)-3,3,3-trifluoropropan-1-one?
The IUPAC name of 1-(2,3-dihydrofuran-4-yl)-3,3,3-trifluoropropan-1-one (CID 130579209) is 1-(2,3-dihydrofuran-4-yl)-3,3,3-trifluoropropan-1-one.
What is the SMILES notation for 1-(2,3-dihydrofuran-4-yl)-3,3,3-trifluoropropan-1-one?
The canonical SMILES for 1-(2,3-dihydrofuran-4-yl)-3,3,3-trifluoropropan-1-one is O=C(CC(F)(F)F)C1=COCC1.
What is the InChIKey of 1-(2,3-dihydrofuran-4-yl)-3,3,3-trifluoropropan-1-one?
The InChIKey is GSEMAGGLCJHFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3O2/c8-7(9,10)3-6(11)5-1-2-12-4-5/h4H,1-3H2.
What are the key properties of 1-(2,3-dihydrofuran-4-yl)-3,3,3-trifluoropropan-1-one?
1-(2,3-dihydrofuran-4-yl)-3,3,3-trifluoropropan-1-one has a molecular weight of 180.12 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrofuran-4-yl)-3,3,3-trifluoropropan-1-one is sourced from PubChem (CID 130579209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).