5-(4-fluorophenyl)-3-[[1-(2-fluorophenyl)pyrrol-2-yl]methylidene]furan-2-one

C21H13F2NO2 — CID 5039736

IUPAC5-(4-fluorophenyl)-3-[[1-(2-fluorophenyl)pyrrol-2-yl]methylidene]furan-2-one
SMILESO=C1OC(c2ccc(F)cc2)=CC1=Cc1cccn1-c1ccccc1F
InChIInChI=1S/C21H13F2NO2/c22-16-9-7-14(8-10-16)20-13-15(21(25)26-20)12-17-4-3-11-24(17)19-6-2-1-5-18(19)23/h1-13H
InChIKeyUWDNAAQCMOEOGX-UHFFFAOYSA-N
MW349.34 g/mol
LogP4.74
Rot. Bonds3

About 5-(4-fluorophenyl)-3-[[1-(2-fluorophenyl)pyrrol-2-yl]methylidene]furan-2-one

5-(4-fluorophenyl)-3-[[1-(2-fluorophenyl)pyrrol-2-yl]methylidene]furan-2-one (PubChem CID 5039736) has the molecular formula C21H13F2NO2 and a molecular weight of 349.34 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-[[1-(2-fluorophenyl)pyrrol-2-yl]methylidene]furan-2-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-[[1-(2-fluorophenyl)pyrrol-2-yl]methylidene]furan-2-one
PubChem CID5039736
Molecular FormulaC21H13F2NO2
Molecular Weight349.34 g/mol
Exact Mass349.09
IUPAC Name5-(4-fluorophenyl)-3-[[1-(2-fluorophenyl)pyrrol-2-yl]methylidene]furan-2-one
SMILESO=C1OC(c2ccc(F)cc2)=CC1=Cc1cccn1-c1ccccc1F
InChIInChI=1S/C21H13F2NO2/c22-16-9-7-14(8-10-16)20-13-15(21(25)26-20)12-17-4-3-11-24(17)19-6-2-1-5-18(19)23/h1-13H
InChIKeyUWDNAAQCMOEOGX-UHFFFAOYSA-N
XLogP4.74
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'ene_five_het_K(4)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-[[1-(2-fluorophenyl)pyrrol-2-yl]methylidene]furan-2-one?
The IUPAC name of 5-(4-fluorophenyl)-3-[[1-(2-fluorophenyl)pyrrol-2-yl]methylidene]furan-2-one (CID 5039736) is 5-(4-fluorophenyl)-3-[[1-(2-fluorophenyl)pyrrol-2-yl]methylidene]furan-2-one.
What is the SMILES notation for 5-(4-fluorophenyl)-3-[[1-(2-fluorophenyl)pyrrol-2-yl]methylidene]furan-2-one?
The canonical SMILES for 5-(4-fluorophenyl)-3-[[1-(2-fluorophenyl)pyrrol-2-yl]methylidene]furan-2-one is O=C1OC(c2ccc(F)cc2)=CC1=Cc1cccn1-c1ccccc1F.
What is the InChIKey of 5-(4-fluorophenyl)-3-[[1-(2-fluorophenyl)pyrrol-2-yl]methylidene]furan-2-one?
The InChIKey is UWDNAAQCMOEOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F2NO2/c22-16-9-7-14(8-10-16)20-13-15(21(25)26-20)12-17-4-3-11-24(17)19-6-2-1-5-18(19)23/h1-13H.
What are the key properties of 5-(4-fluorophenyl)-3-[[1-(2-fluorophenyl)pyrrol-2-yl]methylidene]furan-2-one?
5-(4-fluorophenyl)-3-[[1-(2-fluorophenyl)pyrrol-2-yl]methylidene]furan-2-one has a molecular weight of 349.34 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-[[1-(2-fluorophenyl)pyrrol-2-yl]methylidene]furan-2-one is sourced from PubChem (CID 5039736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).