1-[5-(4-fluorophenyl)furan-2-yl]propan-1-one

C13H11FO2 — CID 62632212

IUPAC1-[5-(4-fluorophenyl)furan-2-yl]propan-1-one
SMILESCCC(=O)c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C13H11FO2/c1-2-11(15)13-8-7-12(16-13)9-3-5-10(14)6-4-9/h3-8H,2H2,1H3
InChIKeyUUPDDINTWQHTKG-UHFFFAOYSA-N
MW218.23 g/mol
LogP3.68
Rot. Bonds3

About 1-[5-(4-fluorophenyl)furan-2-yl]propan-1-one

1-[5-(4-fluorophenyl)furan-2-yl]propan-1-one (PubChem CID 62632212) has the molecular formula C13H11FO2 and a molecular weight of 218.23 g/mol. Its IUPAC name is 1-[5-(4-fluorophenyl)furan-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[5-(4-fluorophenyl)furan-2-yl]propan-1-one
PubChem CID62632212
Molecular FormulaC13H11FO2
Molecular Weight218.23 g/mol
Exact Mass218.07
IUPAC Name1-[5-(4-fluorophenyl)furan-2-yl]propan-1-one
SMILESCCC(=O)c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C13H11FO2/c1-2-11(15)13-8-7-12(16-13)9-3-5-10(14)6-4-9/h3-8H,2H2,1H3
InChIKeyUUPDDINTWQHTKG-UHFFFAOYSA-N
XLogP3.68
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluorophenyl)furan-2-yl]propan-1-one?
The IUPAC name of 1-[5-(4-fluorophenyl)furan-2-yl]propan-1-one (CID 62632212) is 1-[5-(4-fluorophenyl)furan-2-yl]propan-1-one.
What is the SMILES notation for 1-[5-(4-fluorophenyl)furan-2-yl]propan-1-one?
The canonical SMILES for 1-[5-(4-fluorophenyl)furan-2-yl]propan-1-one is CCC(=O)c1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of 1-[5-(4-fluorophenyl)furan-2-yl]propan-1-one?
The InChIKey is UUPDDINTWQHTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FO2/c1-2-11(15)13-8-7-12(16-13)9-3-5-10(14)6-4-9/h3-8H,2H2,1H3.
What are the key properties of 1-[5-(4-fluorophenyl)furan-2-yl]propan-1-one?
1-[5-(4-fluorophenyl)furan-2-yl]propan-1-one has a molecular weight of 218.23 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluorophenyl)furan-2-yl]propan-1-one is sourced from PubChem (CID 62632212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).