3-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]-2H-furan-5-one

C13H12F3NO2 — CID 19764134

IUPAC3-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]-2H-furan-5-one
SMILESCN(C)C1=C(c2cccc(C(F)(F)F)c2)C(=O)OC1
InChIInChI=1S/C13H12F3NO2/c1-17(2)10-7-19-12(18)11(10)8-4-3-5-9(6-8)13(14,15)16/h3-6H,7H2,1-2H3
InChIKeyLNQZCWAHFWRORE-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.53
Rot. Bonds2

About 3-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]-2H-furan-5-one

3-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]-2H-furan-5-one (PubChem CID 19764134) has the molecular formula C13H12F3NO2 and a molecular weight of 271.24 g/mol. Its IUPAC name is 3-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]-2H-furan-5-one.

Molecular Properties

Compound Name3-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]-2H-furan-5-one
PubChem CID19764134
Molecular FormulaC13H12F3NO2
Molecular Weight271.24 g/mol
Exact Mass271.08
IUPAC Name3-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]-2H-furan-5-one
SMILESCN(C)C1=C(c2cccc(C(F)(F)F)c2)C(=O)OC1
InChIInChI=1S/C13H12F3NO2/c1-17(2)10-7-19-12(18)11(10)8-4-3-5-9(6-8)13(14,15)16/h3-6H,7H2,1-2H3
InChIKeyLNQZCWAHFWRORE-UHFFFAOYSA-N
XLogP2.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]-2H-furan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]-2H-furan-5-one?
The IUPAC name of 3-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]-2H-furan-5-one (CID 19764134) is 3-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]-2H-furan-5-one.
What is the SMILES notation for 3-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]-2H-furan-5-one?
The canonical SMILES for 3-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]-2H-furan-5-one is CN(C)C1=C(c2cccc(C(F)(F)F)c2)C(=O)OC1.
What is the InChIKey of 3-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]-2H-furan-5-one?
The InChIKey is LNQZCWAHFWRORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO2/c1-17(2)10-7-19-12(18)11(10)8-4-3-5-9(6-8)13(14,15)16/h3-6H,7H2,1-2H3.
What are the key properties of 3-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]-2H-furan-5-one?
3-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]-2H-furan-5-one has a molecular weight of 271.24 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]-2H-furan-5-one is sourced from PubChem (CID 19764134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).