3-[3-(trifluoromethyl)anilino]-2H-furan-5-one

C11H8F3NO2 — CID 54242617

IUPAC3-[3-(trifluoromethyl)anilino]-2H-furan-5-one
SMILESO=C1C=C(Nc2cccc(C(F)(F)F)c2)CO1
InChIInChI=1S/C11H8F3NO2/c12-11(13,14)7-2-1-3-8(4-7)15-9-5-10(16)17-6-9/h1-5,15H,6H2
InChIKeyQRBKNZZECSIGIM-UHFFFAOYSA-N
MW243.18 g/mol
LogP2.56
Rot. Bonds2

About 3-[3-(trifluoromethyl)anilino]-2H-furan-5-one

3-[3-(trifluoromethyl)anilino]-2H-furan-5-one (PubChem CID 54242617) has the molecular formula C11H8F3NO2 and a molecular weight of 243.18 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)anilino]-2H-furan-5-one.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)anilino]-2H-furan-5-one
PubChem CID54242617
Molecular FormulaC11H8F3NO2
Molecular Weight243.18 g/mol
Exact Mass243.05
IUPAC Name3-[3-(trifluoromethyl)anilino]-2H-furan-5-one
SMILESO=C1C=C(Nc2cccc(C(F)(F)F)c2)CO1
InChIInChI=1S/C11H8F3NO2/c12-11(13,14)7-2-1-3-8(4-7)15-9-5-10(16)17-6-9/h1-5,15H,6H2
InChIKeyQRBKNZZECSIGIM-UHFFFAOYSA-N
XLogP2.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.18
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)anilino]-2H-furan-5-one?
The IUPAC name of 3-[3-(trifluoromethyl)anilino]-2H-furan-5-one (CID 54242617) is 3-[3-(trifluoromethyl)anilino]-2H-furan-5-one.
What is the SMILES notation for 3-[3-(trifluoromethyl)anilino]-2H-furan-5-one?
The canonical SMILES for 3-[3-(trifluoromethyl)anilino]-2H-furan-5-one is O=C1C=C(Nc2cccc(C(F)(F)F)c2)CO1.
What is the InChIKey of 3-[3-(trifluoromethyl)anilino]-2H-furan-5-one?
The InChIKey is QRBKNZZECSIGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO2/c12-11(13,14)7-2-1-3-8(4-7)15-9-5-10(16)17-6-9/h1-5,15H,6H2.
What are the key properties of 3-[3-(trifluoromethyl)anilino]-2H-furan-5-one?
3-[3-(trifluoromethyl)anilino]-2H-furan-5-one has a molecular weight of 243.18 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)anilino]-2H-furan-5-one is sourced from PubChem (CID 54242617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).