(3-fluoro-4-phenylphenyl) furan-2-carboxylate

C17H11FO3 — CID 2767860

IUPAC(3-fluoro-4-phenylphenyl) furan-2-carboxylate
SMILESO=C(Oc1ccc(-c2ccccc2)c(F)c1)c1ccco1
InChIInChI=1S/C17H11FO3/c18-15-11-13(21-17(19)16-7-4-10-20-16)8-9-14(15)12-5-2-1-3-6-12/h1-11H
InChIKeyARSSEWIGYRODMT-UHFFFAOYSA-N
MW282.27 g/mol
LogP4.30
Rot. Bonds3

About (3-fluoro-4-phenylphenyl) furan-2-carboxylate

(3-fluoro-4-phenylphenyl) furan-2-carboxylate (PubChem CID 2767860) has the molecular formula C17H11FO3 and a molecular weight of 282.27 g/mol. Its IUPAC name is (3-fluoro-4-phenylphenyl) furan-2-carboxylate.

Molecular Properties

Compound Name(3-fluoro-4-phenylphenyl) furan-2-carboxylate
PubChem CID2767860
Molecular FormulaC17H11FO3
Molecular Weight282.27 g/mol
Exact Mass282.07
IUPAC Name(3-fluoro-4-phenylphenyl) furan-2-carboxylate
SMILESO=C(Oc1ccc(-c2ccccc2)c(F)c1)c1ccco1
InChIInChI=1S/C17H11FO3/c18-15-11-13(21-17(19)16-7-4-10-20-16)8-9-14(15)12-5-2-1-3-6-12/h1-11H
InChIKeyARSSEWIGYRODMT-UHFFFAOYSA-N
XLogP4.30
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-phenylphenyl) furan-2-carboxylate?
The IUPAC name of (3-fluoro-4-phenylphenyl) furan-2-carboxylate (CID 2767860) is (3-fluoro-4-phenylphenyl) furan-2-carboxylate.
What is the SMILES notation for (3-fluoro-4-phenylphenyl) furan-2-carboxylate?
The canonical SMILES for (3-fluoro-4-phenylphenyl) furan-2-carboxylate is O=C(Oc1ccc(-c2ccccc2)c(F)c1)c1ccco1.
What is the InChIKey of (3-fluoro-4-phenylphenyl) furan-2-carboxylate?
The InChIKey is ARSSEWIGYRODMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FO3/c18-15-11-13(21-17(19)16-7-4-10-20-16)8-9-14(15)12-5-2-1-3-6-12/h1-11H.
What are the key properties of (3-fluoro-4-phenylphenyl) furan-2-carboxylate?
(3-fluoro-4-phenylphenyl) furan-2-carboxylate has a molecular weight of 282.27 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-phenylphenyl) furan-2-carboxylate is sourced from PubChem (CID 2767860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).