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

C18H14F3NO2 — CID 10830459

IUPAC4-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]-2H-furan-5-one
SMILESO=C1OCC(NCc2cccc(C(F)(F)F)c2)=C1c1ccccc1
InChIInChI=1S/C18H14F3NO2/c19-18(20,21)14-8-4-5-12(9-14)10-22-15-11-24-17(23)16(15)13-6-2-1-3-7-13/h1-9,22H,10-11H2
InChIKeyRDMHUHCRNJGFBQ-UHFFFAOYSA-N
MW333.31 g/mol
LogP3.76
Rot. Bonds4

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

4-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]-2H-furan-5-one (PubChem CID 10830459) has the molecular formula C18H14F3NO2 and a molecular weight of 333.31 g/mol. Its IUPAC name is 4-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]-2H-furan-5-one.

Molecular Properties

Compound Name4-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]-2H-furan-5-one
PubChem CID10830459
Molecular FormulaC18H14F3NO2
Molecular Weight333.31 g/mol
Exact Mass333.10
IUPAC Name4-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]-2H-furan-5-one
SMILESO=C1OCC(NCc2cccc(C(F)(F)F)c2)=C1c1ccccc1
InChIInChI=1S/C18H14F3NO2/c19-18(20,21)14-8-4-5-12(9-14)10-22-15-11-24-17(23)16(15)13-6-2-1-3-7-13/h1-9,22H,10-11H2
InChIKeyRDMHUHCRNJGFBQ-UHFFFAOYSA-N
XLogP3.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Benfluorex
CID 2318
Benfluorex hydrochloride
CID 198015
Benfluorex, (S)-
CID 6604374
[2-(Benzylamino)-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 4193806
Ethanol, 2-(alpha-methyl-m-trifluoromethylphenethylamino)-, p-fluorobenzoate
CID 52719
Ethanol, 2-(alpha-methyl-m-trifluoromethylphenethylamino)-, p-toluate
CID 52730
3-(benzylamino)-4-(3-chlorophenyl)-2H-furan-5-one
CID 53326384
Ethanol, 2-(alpha-methyl-m-trifluoromethylphenethylamino)-, phenylacetate
CID 52726
Ethanol, 2-(alpha-methyl-m-trifluoromethylphenethylamino)-, 2-phenylbutyrate
CID 52727
Ethanol, 2-(alpha-methyl-m-trifluoromethylphenethylamino)-, m-trifluoromethylbenzoate
CID 52731
3-(benzylamino)-4-(4-bromophenyl)-2H-furan-5-one
CID 53317445
3-[2-(benzylamino)ethoxy]-4-phenyl-2H-furan-5-one
CID 56676875

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]-2H-furan-5-one?
The IUPAC name of 4-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]-2H-furan-5-one (CID 10830459) is 4-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]-2H-furan-5-one.
What is the SMILES notation for 4-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]-2H-furan-5-one?
The canonical SMILES for 4-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]-2H-furan-5-one is O=C1OCC(NCc2cccc(C(F)(F)F)c2)=C1c1ccccc1.
What is the InChIKey of 4-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]-2H-furan-5-one?
The InChIKey is RDMHUHCRNJGFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3NO2/c19-18(20,21)14-8-4-5-12(9-14)10-22-15-11-24-17(23)16(15)13-6-2-1-3-7-13/h1-9,22H,10-11H2.
What are the key properties of 4-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]-2H-furan-5-one?
4-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]-2H-furan-5-one has a molecular weight of 333.31 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]-2H-furan-5-one is sourced from PubChem (CID 10830459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).