ethyl (2R,3S)-4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoro-2-methoxyphenyl]-2,3-dimethyl-2-(trifluoromethyl)-3H-furan-5-carboxylate

C24H34F4O5Si — CID 171477397

IUPACethyl (2R,3S)-4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoro-2-methoxyphenyl]-2,3-dimethyl-2-(trifluoromethyl)-3H-furan-5-carboxylate
SMILESCCOC(=O)C1=C(c2ccc(F)c(CO[Si](C)(C)C(C)(C)C)c2OC)[C@H](C)[C@](C)(C(F)(F)F)O1
InChIInChI=1S/C24H34F4O5Si/c1-10-31-21(29)20-18(14(2)23(6,33-20)24(26,27)28)15-11-12-17(25)16(19(15)30-7)13-32-34(8,9)22(3,4)5/h11-12,14H,10,13H2,1-9H3/t14-,23+/m0/s1
InChIKeyMUPFWNKWHAEWHX-LFVRLGFBSA-N
MW506.61 g/mol
LogP6.62
Rot. Bonds7

About ethyl (2R,3S)-4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoro-2-methoxyphenyl]-2,3-dimethyl-2-(trifluoromethyl)-3H-furan-5-carboxylate

ethyl (2R,3S)-4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoro-2-methoxyphenyl]-2,3-dimethyl-2-(trifluoromethyl)-3H-furan-5-carboxylate (PubChem CID 171477397) has the molecular formula C24H34F4O5Si and a molecular weight of 506.61 g/mol. Its IUPAC name is ethyl (2R,3S)-4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoro-2-methoxyphenyl]-2,3-dimethyl-2-(trifluoromethyl)-3H-furan-5-carboxylate.

Molecular Properties

Compound Nameethyl (2R,3S)-4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoro-2-methoxyphenyl]-2,3-dimethyl-2-(trifluoromethyl)-3H-furan-5-carboxylate
PubChem CID171477397
Molecular FormulaC24H34F4O5Si
Molecular Weight506.61 g/mol
Exact Mass506.21
IUPAC Nameethyl (2R,3S)-4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoro-2-methoxyphenyl]-2,3-dimethyl-2-(trifluoromethyl)-3H-furan-5-carboxylate
SMILESCCOC(=O)C1=C(c2ccc(F)c(CO[Si](C)(C)C(C)(C)C)c2OC)[C@H](C)[C@](C)(C(F)(F)F)O1
InChIInChI=1S/C24H34F4O5Si/c1-10-31-21(29)20-18(14(2)23(6,33-20)24(26,27)28)15-11-12-17(25)16(19(15)30-7)13-32-34(8,9)22(3,4)5/h11-12,14H,10,13H2,1-9H3/t14-,23+/m0/s1
InChIKeyMUPFWNKWHAEWHX-LFVRLGFBSA-N
XLogP6.62
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.61
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze ethyl (2R,3S)-4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoro-2-methoxyphenyl]-2,3-dimethyl-2-(trifluoromethyl)-3H-furan-5-carboxylate with MolForge

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Related Compounds

ethyl (2S,3S)-4-(3,4-difluoro-2-methoxyphenyl)-2,3-dimethyl-2-(trifluoromethyl)-3H-furan-5-carboxylate
CID 177857108
4-(3-Fluoro-2-methoxyphenyl)-4-methyl-2-trifluoromethyl-2-trimethylsilyloxy-pentanoic acid ethyl ester
CID 17989124
ethyl (2R,3S)-4-(3,4-difluoro-2-methoxyphenyl)-2-(difluoromethyl)-2,3-dimethyl-3H-furan-5-carboxylate
CID 156444728
ethyl 4-(3,4-difluoro-2-methoxyphenyl)-2-(difluoromethyl)-2,3-dimethyl-3H-furan-5-carboxylate
CID 156444729
ethyl 4-(2-fluoro-6-methoxyphenyl)-2-methyl-2-(trifluoromethyl)-3H-furan-5-carboxylate
CID 156444764
ethyl 4-(4-fluoro-2-methoxyphenyl)-2-methyl-2-(trifluoromethyl)-3H-furan-5-carboxylate
CID 156444787
ethyl 4-(3-ethyl-4-fluoro-2-methoxyphenyl)-2-methyl-2-(trifluoromethyl)-3H-furan-5-carboxylate
CID 156444790
ethyl 4-(3,4-difluoro-2-methoxyphenyl)-2,3-dimethyl-2-(trifluoromethyl)-3H-furan-5-carboxylate
CID 156444975
ethyl (2S,3R)-4-[2-(difluoromethoxy)-4-fluorophenyl]-2,3-dimethyl-2-(trifluoromethyl)-3H-furan-5-carboxylate
CID 156445014
ethyl 4-[2-(difluoromethoxy)-4-fluorophenyl]-2,3-dimethyl-2-(trifluoromethyl)-3H-furan-5-carboxylate
CID 156445016
ethyl 4-(3,4-difluoro-2-methoxyphenyl)-2,2,3-trimethyl-3H-furan-5-carboxylate
CID 156445083
ethyl 4-(3,4-difluoro-2-methoxyphenyl)-2-methyl-2-(2,2,2-trifluoroethyl)-3H-furan-5-carboxylate
CID 156445087

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3S)-4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoro-2-methoxyphenyl]-2,3-dimethyl-2-(trifluoromethyl)-3H-furan-5-carboxylate?
The IUPAC name of ethyl (2R,3S)-4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoro-2-methoxyphenyl]-2,3-dimethyl-2-(trifluoromethyl)-3H-furan-5-carboxylate (CID 171477397) is ethyl (2R,3S)-4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoro-2-methoxyphenyl]-2,3-dimethyl-2-(trifluoromethyl)-3H-furan-5-carboxylate.
What is the SMILES notation for ethyl (2R,3S)-4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoro-2-methoxyphenyl]-2,3-dimethyl-2-(trifluoromethyl)-3H-furan-5-carboxylate?
The canonical SMILES for ethyl (2R,3S)-4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoro-2-methoxyphenyl]-2,3-dimethyl-2-(trifluoromethyl)-3H-furan-5-carboxylate is CCOC(=O)C1=C(c2ccc(F)c(CO[Si](C)(C)C(C)(C)C)c2OC)[C@H](C)[C@](C)(C(F)(F)F)O1.
What is the InChIKey of ethyl (2R,3S)-4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoro-2-methoxyphenyl]-2,3-dimethyl-2-(trifluoromethyl)-3H-furan-5-carboxylate?
The InChIKey is MUPFWNKWHAEWHX-LFVRLGFBSA-N. The full InChI is InChI=1S/C24H34F4O5Si/c1-10-31-21(29)20-18(14(2)23(6,33-20)24(26,27)28)15-11-12-17(25)16(19(15)30-7)13-32-34(8,9)22(3,4)5/h11-12,14H,10,13H2,1-9H3/t14-,23+/m0/s1.
What are the key properties of ethyl (2R,3S)-4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoro-2-methoxyphenyl]-2,3-dimethyl-2-(trifluoromethyl)-3H-furan-5-carboxylate?
ethyl (2R,3S)-4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoro-2-methoxyphenyl]-2,3-dimethyl-2-(trifluoromethyl)-3H-furan-5-carboxylate has a molecular weight of 506.61 g/mol, XLogP of 6.62, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3S)-4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoro-2-methoxyphenyl]-2,3-dimethyl-2-(trifluoromethyl)-3H-furan-5-carboxylate is sourced from PubChem (CID 171477397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).