2-phenyl-3-(trifluoromethyl)-2H-furan-5-one

C11H7F3O2 — CID 11287612

IUPAC2-phenyl-3-(trifluoromethyl)-2H-furan-5-one
SMILESO=C1C=C(C(F)(F)F)C(c2ccccc2)O1
InChIInChI=1S/C11H7F3O2/c12-11(13,14)8-6-9(15)16-10(8)7-4-2-1-3-5-7/h1-6,10H
InChIKeyAEBQOOQNNMPIPT-UHFFFAOYSA-N
MW228.17 g/mol
LogP2.77
Rot. Bonds1

About 2-phenyl-3-(trifluoromethyl)-2H-furan-5-one

2-phenyl-3-(trifluoromethyl)-2H-furan-5-one (PubChem CID 11287612) has the molecular formula C11H7F3O2 and a molecular weight of 228.17 g/mol. Its IUPAC name is 2-phenyl-3-(trifluoromethyl)-2H-furan-5-one.

Molecular Properties

Compound Name2-phenyl-3-(trifluoromethyl)-2H-furan-5-one
PubChem CID11287612
Molecular FormulaC11H7F3O2
Molecular Weight228.17 g/mol
Exact Mass228.04
IUPAC Name2-phenyl-3-(trifluoromethyl)-2H-furan-5-one
SMILESO=C1C=C(C(F)(F)F)C(c2ccccc2)O1
InChIInChI=1S/C11H7F3O2/c12-11(13,14)8-6-9(15)16-10(8)7-4-2-1-3-5-7/h1-6,10H
InChIKeyAEBQOOQNNMPIPT-UHFFFAOYSA-N
XLogP2.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(trifluoromethyl)-2H-furan-5-one?
The IUPAC name of 2-phenyl-3-(trifluoromethyl)-2H-furan-5-one (CID 11287612) is 2-phenyl-3-(trifluoromethyl)-2H-furan-5-one.
What is the SMILES notation for 2-phenyl-3-(trifluoromethyl)-2H-furan-5-one?
The canonical SMILES for 2-phenyl-3-(trifluoromethyl)-2H-furan-5-one is O=C1C=C(C(F)(F)F)C(c2ccccc2)O1.
What is the InChIKey of 2-phenyl-3-(trifluoromethyl)-2H-furan-5-one?
The InChIKey is AEBQOOQNNMPIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3O2/c12-11(13,14)8-6-9(15)16-10(8)7-4-2-1-3-5-7/h1-6,10H.
What are the key properties of 2-phenyl-3-(trifluoromethyl)-2H-furan-5-one?
2-phenyl-3-(trifluoromethyl)-2H-furan-5-one has a molecular weight of 228.17 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(trifluoromethyl)-2H-furan-5-one is sourced from PubChem (CID 11287612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).