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

C7H5F5O2 — CID 130579754

IUPAC1-(2,3-dihydrofuran-4-yl)-2,2,3,3,3-pentafluoropropan-1-one
SMILESO=C(C1=COCC1)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H5F5O2/c8-6(9,7(10,11)12)5(13)4-1-2-14-3-4/h3H,1-2H2
InChIKeyQLYFBEXGAPAEHF-UHFFFAOYSA-N
MW216.10 g/mol
LogP2.06
Rot. Bonds2

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

1-(2,3-dihydrofuran-4-yl)-2,2,3,3,3-pentafluoropropan-1-one (PubChem CID 130579754) has the molecular formula C7H5F5O2 and a molecular weight of 216.10 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-4-yl)-2,2,3,3,3-pentafluoropropan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-4-yl)-2,2,3,3,3-pentafluoropropan-1-one
PubChem CID130579754
Molecular FormulaC7H5F5O2
Molecular Weight216.10 g/mol
Exact Mass216.02
IUPAC Name1-(2,3-dihydrofuran-4-yl)-2,2,3,3,3-pentafluoropropan-1-one
SMILESO=C(C1=COCC1)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H5F5O2/c8-6(9,7(10,11)12)5(13)4-1-2-14-3-4/h3H,1-2H2
InChIKeyQLYFBEXGAPAEHF-UHFFFAOYSA-N
XLogP2.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.10
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-4-yl)-2,2,3,3,3-pentafluoropropan-1-one?
The IUPAC name of 1-(2,3-dihydrofuran-4-yl)-2,2,3,3,3-pentafluoropropan-1-one (CID 130579754) is 1-(2,3-dihydrofuran-4-yl)-2,2,3,3,3-pentafluoropropan-1-one.
What is the SMILES notation for 1-(2,3-dihydrofuran-4-yl)-2,2,3,3,3-pentafluoropropan-1-one?
The canonical SMILES for 1-(2,3-dihydrofuran-4-yl)-2,2,3,3,3-pentafluoropropan-1-one is O=C(C1=COCC1)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-(2,3-dihydrofuran-4-yl)-2,2,3,3,3-pentafluoropropan-1-one?
The InChIKey is QLYFBEXGAPAEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F5O2/c8-6(9,7(10,11)12)5(13)4-1-2-14-3-4/h3H,1-2H2.
What are the key properties of 1-(2,3-dihydrofuran-4-yl)-2,2,3,3,3-pentafluoropropan-1-one?
1-(2,3-dihydrofuran-4-yl)-2,2,3,3,3-pentafluoropropan-1-one has a molecular weight of 216.10 g/mol, XLogP of 2.06, 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)-2,2,3,3,3-pentafluoropropan-1-one is sourced from PubChem (CID 130579754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).