4-(3-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]-2H-furan-5-one

C17H10F4O2 — CID 118721977

IUPAC4-(3-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]-2H-furan-5-one
SMILESO=C1OCC(c2ccc(C(F)(F)F)cc2)=C1c1cccc(F)c1
InChIInChI=1S/C17H10F4O2/c18-13-3-1-2-11(8-13)15-14(9-23-16(15)22)10-4-6-12(7-5-10)17(19,20)21/h1-8H,9H2
InChIKeyPTOIWYLDEVCKGJ-UHFFFAOYSA-N
MW322.26 g/mol
LogP4.31
Rot. Bonds2

About 4-(3-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]-2H-furan-5-one

4-(3-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]-2H-furan-5-one (PubChem CID 118721977) has the molecular formula C17H10F4O2 and a molecular weight of 322.26 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]-2H-furan-5-one.

Molecular Properties

Compound Name4-(3-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]-2H-furan-5-one
PubChem CID118721977
Molecular FormulaC17H10F4O2
Molecular Weight322.26 g/mol
Exact Mass322.06
IUPAC Name4-(3-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]-2H-furan-5-one
SMILESO=C1OCC(c2ccc(C(F)(F)F)cc2)=C1c1cccc(F)c1
InChIInChI=1S/C17H10F4O2/c18-13-3-1-2-11(8-13)15-14(9-23-16(15)22)10-4-6-12(7-5-10)17(19,20)21/h1-8H,9H2
InChIKeyPTOIWYLDEVCKGJ-UHFFFAOYSA-N
XLogP4.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.26
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]-2H-furan-5-one?
The IUPAC name of 4-(3-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]-2H-furan-5-one (CID 118721977) is 4-(3-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]-2H-furan-5-one.
What is the SMILES notation for 4-(3-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]-2H-furan-5-one?
The canonical SMILES for 4-(3-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]-2H-furan-5-one is O=C1OCC(c2ccc(C(F)(F)F)cc2)=C1c1cccc(F)c1.
What is the InChIKey of 4-(3-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]-2H-furan-5-one?
The InChIKey is PTOIWYLDEVCKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F4O2/c18-13-3-1-2-11(8-13)15-14(9-23-16(15)22)10-4-6-12(7-5-10)17(19,20)21/h1-8H,9H2.
What are the key properties of 4-(3-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]-2H-furan-5-one?
4-(3-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]-2H-furan-5-one has a molecular weight of 322.26 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]-2H-furan-5-one is sourced from PubChem (CID 118721977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).