methyl (2R,3R)-3-hydroxy-2-methyl-3-[4-(trifluoromethoxy)phenyl]propanoate

C12H13F3O4 — CID 11608837

IUPACmethyl (2R,3R)-3-hydroxy-2-methyl-3-[4-(trifluoromethoxy)phenyl]propanoate
SMILESCOC(=O)[C@H](C)[C@@H](O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H13F3O4/c1-7(11(17)18-2)10(16)8-3-5-9(6-4-8)19-12(13,14)15/h3-7,10,16H,1-2H3/t7-,10-/m1/s1
InChIKeyRTDCHRIXJUEVMQ-GMSGAONNSA-N
MW278.23 g/mol
LogP2.43
Rot. Bonds4

About methyl (2R,3R)-3-hydroxy-2-methyl-3-[4-(trifluoromethoxy)phenyl]propanoate

methyl (2R,3R)-3-hydroxy-2-methyl-3-[4-(trifluoromethoxy)phenyl]propanoate (PubChem CID 11608837) has the molecular formula C12H13F3O4 and a molecular weight of 278.23 g/mol. Its IUPAC name is methyl (2R,3R)-3-hydroxy-2-methyl-3-[4-(trifluoromethoxy)phenyl]propanoate.

Molecular Properties

Compound Namemethyl (2R,3R)-3-hydroxy-2-methyl-3-[4-(trifluoromethoxy)phenyl]propanoate
PubChem CID11608837
Molecular FormulaC12H13F3O4
Molecular Weight278.23 g/mol
Exact Mass278.08
IUPAC Namemethyl (2R,3R)-3-hydroxy-2-methyl-3-[4-(trifluoromethoxy)phenyl]propanoate
SMILESCOC(=O)[C@H](C)[C@@H](O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H13F3O4/c1-7(11(17)18-2)10(16)8-3-5-9(6-4-8)19-12(13,14)15/h3-7,10,16H,1-2H3/t7-,10-/m1/s1
InChIKeyRTDCHRIXJUEVMQ-GMSGAONNSA-N
XLogP2.43
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (2R,3R)-3-hydroxy-2-methyl-3-[4-(trifluoromethoxy)phenyl]propanoate 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

methyl 2-amino-2-[4-(trifluoromethoxy)phenyl]acetate;hydrochloride
CID 68701714
methyl 3-hydroxy-3-(4-hydroxyphenyl)-2-methylpropanoate
CID 62393477
dimethyl (2S,3R)-2-hydroxy-3-[[4-(trifluoromethoxy)phenyl]methyl]butanedioate
CID 59432804
methyl (3R)-3-amino-3-[4-(trifluoromethoxy)phenyl]propanoate
CID 29059481
2-methyl-4-[4-(trifluoromethoxy)phenyl]pentan-3-one
CID 79298920
3-(methylamino)-1-[4-(trifluoromethoxy)phenyl]propane-1,2-diol
CID 171858532
2-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-1-ol
CID 107892620
methyl 3-amino-3-[4-(trifluoromethoxy)phenyl]propanoate;hydrochloride
CID 42957249
methyl 2-[hydroxy-[3-(trifluoromethoxy)phenyl]methyl]-3-methylbutanoate
CID 107105204
(1S)-1-[4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 86346348
3-amino-1-[4-(trifluoromethoxy)phenyl]butan-1-ol
CID 81463053
2-amino-2-phenyl-1-[4-(trifluoromethoxy)phenyl]ethanol
CID 62718138

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R)-3-hydroxy-2-methyl-3-[4-(trifluoromethoxy)phenyl]propanoate?
The IUPAC name of methyl (2R,3R)-3-hydroxy-2-methyl-3-[4-(trifluoromethoxy)phenyl]propanoate (CID 11608837) is methyl (2R,3R)-3-hydroxy-2-methyl-3-[4-(trifluoromethoxy)phenyl]propanoate.
What is the SMILES notation for methyl (2R,3R)-3-hydroxy-2-methyl-3-[4-(trifluoromethoxy)phenyl]propanoate?
The canonical SMILES for methyl (2R,3R)-3-hydroxy-2-methyl-3-[4-(trifluoromethoxy)phenyl]propanoate is COC(=O)[C@H](C)[C@@H](O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of methyl (2R,3R)-3-hydroxy-2-methyl-3-[4-(trifluoromethoxy)phenyl]propanoate?
The InChIKey is RTDCHRIXJUEVMQ-GMSGAONNSA-N. The full InChI is InChI=1S/C12H13F3O4/c1-7(11(17)18-2)10(16)8-3-5-9(6-4-8)19-12(13,14)15/h3-7,10,16H,1-2H3/t7-,10-/m1/s1.
What are the key properties of methyl (2R,3R)-3-hydroxy-2-methyl-3-[4-(trifluoromethoxy)phenyl]propanoate?
methyl (2R,3R)-3-hydroxy-2-methyl-3-[4-(trifluoromethoxy)phenyl]propanoate has a molecular weight of 278.23 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R)-3-hydroxy-2-methyl-3-[4-(trifluoromethoxy)phenyl]propanoate is sourced from PubChem (CID 11608837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).