(5E)-5-benzylidene-3-(2,4,6-trifluorophenyl)furan-2-one

C17H9F3O2 — CID 90368733

IUPAC(5E)-5-benzylidene-3-(2,4,6-trifluorophenyl)furan-2-one
SMILESO=C1O/C(=C/c2ccccc2)C=C1c1c(F)cc(F)cc1F
InChIInChI=1S/C17H9F3O2/c18-11-7-14(19)16(15(20)8-11)13-9-12(22-17(13)21)6-10-4-2-1-3-5-10/h1-9H/b12-6+
InChIKeyKJIFMNUOLQEKSL-WUXMJOGZSA-N
MW302.25 g/mol
LogP4.09
Rot. Bonds2

About (5E)-5-benzylidene-3-(2,4,6-trifluorophenyl)furan-2-one

(5E)-5-benzylidene-3-(2,4,6-trifluorophenyl)furan-2-one (PubChem CID 90368733) has the molecular formula C17H9F3O2 and a molecular weight of 302.25 g/mol. Its IUPAC name is (5E)-5-benzylidene-3-(2,4,6-trifluorophenyl)furan-2-one.

Molecular Properties

Compound Name(5E)-5-benzylidene-3-(2,4,6-trifluorophenyl)furan-2-one
PubChem CID90368733
Molecular FormulaC17H9F3O2
Molecular Weight302.25 g/mol
Exact Mass302.06
IUPAC Name(5E)-5-benzylidene-3-(2,4,6-trifluorophenyl)furan-2-one
SMILESO=C1O/C(=C/c2ccccc2)C=C1c1c(F)cc(F)cc1F
InChIInChI=1S/C17H9F3O2/c18-11-7-14(19)16(15(20)8-11)13-9-12(22-17(13)21)6-10-4-2-1-3-5-10/h1-9H/b12-6+
InChIKeyKJIFMNUOLQEKSL-WUXMJOGZSA-N
XLogP4.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-benzylidene-3-(2,4,6-trifluorophenyl)furan-2-one?
The IUPAC name of (5E)-5-benzylidene-3-(2,4,6-trifluorophenyl)furan-2-one (CID 90368733) is (5E)-5-benzylidene-3-(2,4,6-trifluorophenyl)furan-2-one.
What is the SMILES notation for (5E)-5-benzylidene-3-(2,4,6-trifluorophenyl)furan-2-one?
The canonical SMILES for (5E)-5-benzylidene-3-(2,4,6-trifluorophenyl)furan-2-one is O=C1O/C(=C/c2ccccc2)C=C1c1c(F)cc(F)cc1F.
What is the InChIKey of (5E)-5-benzylidene-3-(2,4,6-trifluorophenyl)furan-2-one?
The InChIKey is KJIFMNUOLQEKSL-WUXMJOGZSA-N. The full InChI is InChI=1S/C17H9F3O2/c18-11-7-14(19)16(15(20)8-11)13-9-12(22-17(13)21)6-10-4-2-1-3-5-10/h1-9H/b12-6+.
What are the key properties of (5E)-5-benzylidene-3-(2,4,6-trifluorophenyl)furan-2-one?
(5E)-5-benzylidene-3-(2,4,6-trifluorophenyl)furan-2-one has a molecular weight of 302.25 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-benzylidene-3-(2,4,6-trifluorophenyl)furan-2-one is sourced from PubChem (CID 90368733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).