(2S)-2-[(R)-phenyl-[3-(trifluoromethyl)anilino]methyl]-2H-furan-5-one

C18H14F3NO2 — CID 101484462

IUPAC(2S)-2-[(R)-phenyl-[3-(trifluoromethyl)anilino]methyl]-2H-furan-5-one
SMILESO=C1C=C[C@@H]([C@H](Nc2cccc(C(F)(F)F)c2)c2ccccc2)O1
InChIInChI=1S/C18H14F3NO2/c19-18(20,21)13-7-4-8-14(11-13)22-17(12-5-2-1-3-6-12)15-9-10-16(23)24-15/h1-11,15,17,22H/t15-,17+/m0/s1
InChIKeyMUKPIQFBWHHNOB-DOTOQJQBSA-N
MW333.31 g/mol
LogP4.34
Rot. Bonds4

About (2S)-2-[(R)-phenyl-[3-(trifluoromethyl)anilino]methyl]-2H-furan-5-one

(2S)-2-[(R)-phenyl-[3-(trifluoromethyl)anilino]methyl]-2H-furan-5-one (PubChem CID 101484462) has the molecular formula C18H14F3NO2 and a molecular weight of 333.31 g/mol. Its IUPAC name is (2S)-2-[(R)-phenyl-[3-(trifluoromethyl)anilino]methyl]-2H-furan-5-one.

Molecular Properties

Compound Name(2S)-2-[(R)-phenyl-[3-(trifluoromethyl)anilino]methyl]-2H-furan-5-one
PubChem CID101484462
Molecular FormulaC18H14F3NO2
Molecular Weight333.31 g/mol
Exact Mass333.10
IUPAC Name(2S)-2-[(R)-phenyl-[3-(trifluoromethyl)anilino]methyl]-2H-furan-5-one
SMILESO=C1C=C[C@@H]([C@H](Nc2cccc(C(F)(F)F)c2)c2ccccc2)O1
InChIInChI=1S/C18H14F3NO2/c19-18(20,21)13-7-4-8-14(11-13)22-17(12-5-2-1-3-6-12)15-9-10-16(23)24-15/h1-11,15,17,22H/t15-,17+/m0/s1
InChIKeyMUKPIQFBWHHNOB-DOTOQJQBSA-N
XLogP4.34
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 ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[(R)-phenyl-[3-(trifluoromethyl)anilino]methyl]-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

Related Compounds

benzyl (3R)-3-anilino-4,4,4-trifluorobutanoate
CID 146167787
(2S)-2-[(R)-anilino-(4-nitrophenyl)methyl]-2H-furan-5-one
CID 101484464
(2S)-2-[(R)-(4-bromoanilino)-phenylmethyl]-2H-furan-5-one
CID 102433362
(2S)-2-[(R)-(4-nitroanilino)-phenylmethyl]-2H-furan-5-one
CID 134839245
Benzyl 2-anilinoacetate
CID 21693963
(2S)-2-[(R)-anilino(phenyl)methyl]-2H-furan-5-one
CID 102210152
5-Methyl-3-[3-(2-phenylethoxymethyl)anilino]oxolan-2-one
CID 72016953
(2S)-2-[(R)-(3-fluoroanilino)-phenylmethyl]-2H-furan-5-one
CID 44603553
Benzyl 2-((2-Fluorophenyl)amino)acetate
CID 18929217
1,1,1,3,3,3-Hexafluoropropan-2-yl 2-anilino-2-phenylacetate
CID 54479423
(4-fluorophenyl)methyl (2S)-2-(4-fluoroanilino)propanoate
CID 57047709
[2-[4-(2-Aminoethyl)anilino]-1-phenylethyl] 2,2,2-trifluoroacetate
CID 57120859

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(R)-phenyl-[3-(trifluoromethyl)anilino]methyl]-2H-furan-5-one?
The IUPAC name of (2S)-2-[(R)-phenyl-[3-(trifluoromethyl)anilino]methyl]-2H-furan-5-one (CID 101484462) is (2S)-2-[(R)-phenyl-[3-(trifluoromethyl)anilino]methyl]-2H-furan-5-one.
What is the SMILES notation for (2S)-2-[(R)-phenyl-[3-(trifluoromethyl)anilino]methyl]-2H-furan-5-one?
The canonical SMILES for (2S)-2-[(R)-phenyl-[3-(trifluoromethyl)anilino]methyl]-2H-furan-5-one is O=C1C=C[C@@H]([C@H](Nc2cccc(C(F)(F)F)c2)c2ccccc2)O1.
What is the InChIKey of (2S)-2-[(R)-phenyl-[3-(trifluoromethyl)anilino]methyl]-2H-furan-5-one?
The InChIKey is MUKPIQFBWHHNOB-DOTOQJQBSA-N. The full InChI is InChI=1S/C18H14F3NO2/c19-18(20,21)13-7-4-8-14(11-13)22-17(12-5-2-1-3-6-12)15-9-10-16(23)24-15/h1-11,15,17,22H/t15-,17+/m0/s1.
What are the key properties of (2S)-2-[(R)-phenyl-[3-(trifluoromethyl)anilino]methyl]-2H-furan-5-one?
(2S)-2-[(R)-phenyl-[3-(trifluoromethyl)anilino]methyl]-2H-furan-5-one has a molecular weight of 333.31 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(R)-phenyl-[3-(trifluoromethyl)anilino]methyl]-2H-furan-5-one is sourced from PubChem (CID 101484462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).