5-methyl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]furan-2-one

C14H11F3O2 — CID 71770170

IUPAC5-methyl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]furan-2-one
SMILESCC1(/C=C/c2ccc(C(F)(F)F)cc2)C=CC(=O)O1
InChIInChI=1S/C14H11F3O2/c1-13(9-7-12(18)19-13)8-6-10-2-4-11(5-3-10)14(15,16)17/h2-9H,1H3/b8-6+
InChIKeyMSGCEMHJWWSMJV-SOFGYWHQSA-N
MW268.23 g/mol
LogP3.59
Rot. Bonds2

About 5-methyl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]furan-2-one

5-methyl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]furan-2-one (PubChem CID 71770170) has the molecular formula C14H11F3O2 and a molecular weight of 268.23 g/mol. Its IUPAC name is 5-methyl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]furan-2-one.

Molecular Properties

Compound Name5-methyl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]furan-2-one
PubChem CID71770170
Molecular FormulaC14H11F3O2
Molecular Weight268.23 g/mol
Exact Mass268.07
IUPAC Name5-methyl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]furan-2-one
SMILESCC1(/C=C/c2ccc(C(F)(F)F)cc2)C=CC(=O)O1
InChIInChI=1S/C14H11F3O2/c1-13(9-7-12(18)19-13)8-6-10-2-4-11(5-3-10)14(15,16)17/h2-9H,1H3/b8-6+
InChIKeyMSGCEMHJWWSMJV-SOFGYWHQSA-N
XLogP3.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]furan-2-one?
The IUPAC name of 5-methyl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]furan-2-one (CID 71770170) is 5-methyl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]furan-2-one.
What is the SMILES notation for 5-methyl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]furan-2-one?
The canonical SMILES for 5-methyl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]furan-2-one is CC1(/C=C/c2ccc(C(F)(F)F)cc2)C=CC(=O)O1.
What is the InChIKey of 5-methyl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]furan-2-one?
The InChIKey is MSGCEMHJWWSMJV-SOFGYWHQSA-N. The full InChI is InChI=1S/C14H11F3O2/c1-13(9-7-12(18)19-13)8-6-10-2-4-11(5-3-10)14(15,16)17/h2-9H,1H3/b8-6+.
What are the key properties of 5-methyl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]furan-2-one?
5-methyl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]furan-2-one has a molecular weight of 268.23 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]furan-2-one is sourced from PubChem (CID 71770170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).