ethyl (2R)-2-[[2-fluoro-6-(trifluoromethoxy)phenyl]methylamino]-2-(3-hydroxyphenyl)acetate

C18H17F4NO4 — CID 100756781

IUPACethyl (2R)-2-[[2-fluoro-6-(trifluoromethoxy)phenyl]methylamino]-2-(3-hydroxyphenyl)acetate
SMILESCCOC(=O)[C@H](NCc1c(F)cccc1OC(F)(F)F)c1cccc(O)c1
InChIInChI=1S/C18H17F4NO4/c1-2-26-17(25)16(11-5-3-6-12(24)9-11)23-10-13-14(19)7-4-8-15(13)27-18(20,21)22/h3-9,16,23-24H,2,10H2,1H3/t16-/m1/s1
InChIKeyQPVPPLVJDAEYJF-MRXNPFEDSA-N
MW387.33 g/mol
LogP3.82
Rot. Bonds7

About ethyl (2R)-2-[[2-fluoro-6-(trifluoromethoxy)phenyl]methylamino]-2-(3-hydroxyphenyl)acetate

ethyl (2R)-2-[[2-fluoro-6-(trifluoromethoxy)phenyl]methylamino]-2-(3-hydroxyphenyl)acetate (PubChem CID 100756781) has the molecular formula C18H17F4NO4 and a molecular weight of 387.33 g/mol. Its IUPAC name is ethyl (2R)-2-[[2-fluoro-6-(trifluoromethoxy)phenyl]methylamino]-2-(3-hydroxyphenyl)acetate.

Molecular Properties

Compound Nameethyl (2R)-2-[[2-fluoro-6-(trifluoromethoxy)phenyl]methylamino]-2-(3-hydroxyphenyl)acetate
PubChem CID100756781
Molecular FormulaC18H17F4NO4
Molecular Weight387.33 g/mol
Exact Mass387.11
IUPAC Nameethyl (2R)-2-[[2-fluoro-6-(trifluoromethoxy)phenyl]methylamino]-2-(3-hydroxyphenyl)acetate
SMILESCCOC(=O)[C@H](NCc1c(F)cccc1OC(F)(F)F)c1cccc(O)c1
InChIInChI=1S/C18H17F4NO4/c1-2-26-17(25)16(11-5-3-6-12(24)9-11)23-10-13-14(19)7-4-8-15(13)27-18(20,21)22/h3-9,16,23-24H,2,10H2,1H3/t16-/m1/s1
InChIKeyQPVPPLVJDAEYJF-MRXNPFEDSA-N
XLogP3.82
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.33
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl (2R)-2-[[2-fluoro-6-(trifluoromethoxy)phenyl]methylamino]-2-(3-hydroxyphenyl)acetate 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

ethyl (2R)-2-(3-hydroxyphenyl)-2-[[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]amino]acetate
CID 97219828
ethyl 2-(3-hydroxyphenyl)-2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]acetate
CID 119140010
2-[[2-fluoro-6-(trifluoromethoxy)phenyl]methylamino]acetamide
CID 100756707
ethyl 2-(benzylamino)-2-(3-fluorophenyl)acetate
CID 60991187
ethyl (2S)-2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-2-(3-hydroxyphenyl)acetate
CID 95786075
2-[[[2-fluoro-6-(trifluoromethoxy)phenyl]methylamino]methyl]-4-methylpentanoic acid
CID 122073360
2-ethyl-1-fluoro-3-(trifluoromethoxy)benzene
CID 131169258
ethyl 2-[(4-fluorophenyl)methylamino]-2-phenylacetate
CID 103600877
ethyl 2-phenyl-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]acetate
CID 3840083
ethyl 2-phenyl-2-(3,3,3-trifluoropropylamino)acetate
CID 113245783
ethyl 2-(3-ethoxyphenyl)-2-(propylamino)acetate
CID 60874093
ethyl 3-(3-hydroxyphenyl)-2-methylbutanoate
CID 71083668

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[[2-fluoro-6-(trifluoromethoxy)phenyl]methylamino]-2-(3-hydroxyphenyl)acetate?
The IUPAC name of ethyl (2R)-2-[[2-fluoro-6-(trifluoromethoxy)phenyl]methylamino]-2-(3-hydroxyphenyl)acetate (CID 100756781) is ethyl (2R)-2-[[2-fluoro-6-(trifluoromethoxy)phenyl]methylamino]-2-(3-hydroxyphenyl)acetate.
What is the SMILES notation for ethyl (2R)-2-[[2-fluoro-6-(trifluoromethoxy)phenyl]methylamino]-2-(3-hydroxyphenyl)acetate?
The canonical SMILES for ethyl (2R)-2-[[2-fluoro-6-(trifluoromethoxy)phenyl]methylamino]-2-(3-hydroxyphenyl)acetate is CCOC(=O)[C@H](NCc1c(F)cccc1OC(F)(F)F)c1cccc(O)c1.
What is the InChIKey of ethyl (2R)-2-[[2-fluoro-6-(trifluoromethoxy)phenyl]methylamino]-2-(3-hydroxyphenyl)acetate?
The InChIKey is QPVPPLVJDAEYJF-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H17F4NO4/c1-2-26-17(25)16(11-5-3-6-12(24)9-11)23-10-13-14(19)7-4-8-15(13)27-18(20,21)22/h3-9,16,23-24H,2,10H2,1H3/t16-/m1/s1.
What are the key properties of ethyl (2R)-2-[[2-fluoro-6-(trifluoromethoxy)phenyl]methylamino]-2-(3-hydroxyphenyl)acetate?
ethyl (2R)-2-[[2-fluoro-6-(trifluoromethoxy)phenyl]methylamino]-2-(3-hydroxyphenyl)acetate has a molecular weight of 387.33 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[[2-fluoro-6-(trifluoromethoxy)phenyl]methylamino]-2-(3-hydroxyphenyl)acetate is sourced from PubChem (CID 100756781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).