(2R)-2-(2-methylprop-2-enyl)-4-[4-(trifluoromethyl)phenyl]-2H-furan-5-one

C15H13F3O2 — CID 164513778

IUPAC(2R)-2-(2-methylprop-2-enyl)-4-[4-(trifluoromethyl)phenyl]-2H-furan-5-one
SMILESC=C(C)C[C@@H]1C=C(c2ccc(C(F)(F)F)cc2)C(=O)O1
InChIInChI=1S/C15H13F3O2/c1-9(2)7-12-8-13(14(19)20-12)10-3-5-11(6-4-10)15(16,17)18/h3-6,8,12H,1,7H2,2H3/t12-/m1/s1
InChIKeyIIIXYTBQQCFTRA-GFCCVEGCSA-N
MW282.26 g/mol
LogP3.98
Rot. Bonds3

About (2R)-2-(2-methylprop-2-enyl)-4-[4-(trifluoromethyl)phenyl]-2H-furan-5-one

(2R)-2-(2-methylprop-2-enyl)-4-[4-(trifluoromethyl)phenyl]-2H-furan-5-one (PubChem CID 164513778) has the molecular formula C15H13F3O2 and a molecular weight of 282.26 g/mol. Its IUPAC name is (2R)-2-(2-methylprop-2-enyl)-4-[4-(trifluoromethyl)phenyl]-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-(2-methylprop-2-enyl)-4-[4-(trifluoromethyl)phenyl]-2H-furan-5-one
PubChem CID164513778
Molecular FormulaC15H13F3O2
Molecular Weight282.26 g/mol
Exact Mass282.09
IUPAC Name(2R)-2-(2-methylprop-2-enyl)-4-[4-(trifluoromethyl)phenyl]-2H-furan-5-one
SMILESC=C(C)C[C@@H]1C=C(c2ccc(C(F)(F)F)cc2)C(=O)O1
InChIInChI=1S/C15H13F3O2/c1-9(2)7-12-8-13(14(19)20-12)10-3-5-11(6-4-10)15(16,17)18/h3-6,8,12H,1,7H2,2H3/t12-/m1/s1
InChIKeyIIIXYTBQQCFTRA-GFCCVEGCSA-N
XLogP3.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methylprop-2-enyl)-4-[4-(trifluoromethyl)phenyl]-2H-furan-5-one?
The IUPAC name of (2R)-2-(2-methylprop-2-enyl)-4-[4-(trifluoromethyl)phenyl]-2H-furan-5-one (CID 164513778) is (2R)-2-(2-methylprop-2-enyl)-4-[4-(trifluoromethyl)phenyl]-2H-furan-5-one.
What is the SMILES notation for (2R)-2-(2-methylprop-2-enyl)-4-[4-(trifluoromethyl)phenyl]-2H-furan-5-one?
The canonical SMILES for (2R)-2-(2-methylprop-2-enyl)-4-[4-(trifluoromethyl)phenyl]-2H-furan-5-one is C=C(C)C[C@@H]1C=C(c2ccc(C(F)(F)F)cc2)C(=O)O1.
What is the InChIKey of (2R)-2-(2-methylprop-2-enyl)-4-[4-(trifluoromethyl)phenyl]-2H-furan-5-one?
The InChIKey is IIIXYTBQQCFTRA-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H13F3O2/c1-9(2)7-12-8-13(14(19)20-12)10-3-5-11(6-4-10)15(16,17)18/h3-6,8,12H,1,7H2,2H3/t12-/m1/s1.
What are the key properties of (2R)-2-(2-methylprop-2-enyl)-4-[4-(trifluoromethyl)phenyl]-2H-furan-5-one?
(2R)-2-(2-methylprop-2-enyl)-4-[4-(trifluoromethyl)phenyl]-2H-furan-5-one has a molecular weight of 282.26 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methylprop-2-enyl)-4-[4-(trifluoromethyl)phenyl]-2H-furan-5-one is sourced from PubChem (CID 164513778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).