ethyl 3-(4-methoxythiophen-3-yl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxylate

C15H19F3O4S — CID 176914537

IUPACethyl 3-(4-methoxythiophen-3-yl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxylate
SMILESCCOC(=O)C1OC(C)(C(F)(F)F)C(C)C1c1cscc1OC
InChIInChI=1S/C15H19F3O4S/c1-5-21-13(19)12-11(9-6-23-7-10(9)20-4)8(2)14(3,22-12)15(16,17)18/h6-8,11-12H,5H2,1-4H3
InChIKeySUNUJINRBOXXHF-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.76
Rot. Bonds4

About ethyl 3-(4-methoxythiophen-3-yl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxylate

ethyl 3-(4-methoxythiophen-3-yl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxylate (PubChem CID 176914537) has the molecular formula C15H19F3O4S and a molecular weight of 352.37 g/mol. Its IUPAC name is ethyl 3-(4-methoxythiophen-3-yl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-methoxythiophen-3-yl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxylate
PubChem CID176914537
Molecular FormulaC15H19F3O4S
Molecular Weight352.37 g/mol
Exact Mass352.10
IUPAC Nameethyl 3-(4-methoxythiophen-3-yl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxylate
SMILESCCOC(=O)C1OC(C)(C(F)(F)F)C(C)C1c1cscc1OC
InChIInChI=1S/C15H19F3O4S/c1-5-21-13(19)12-11(9-6-23-7-10(9)20-4)8(2)14(3,22-12)15(16,17)18/h6-8,11-12H,5H2,1-4H3
InChIKeySUNUJINRBOXXHF-UHFFFAOYSA-N
XLogP3.76
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S,3S,4S,5R)-3-(5-chloro-3,4-difluoro-2-methylphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxylate
CID 159086042
(2R,3S,4S,5R)-N-[2-(3,3-difluoroazetidine-1-carbonyl)-4-pyridinyl]-3-(4-methoxythiophen-3-yl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 176914532
methyl (2R)-3-(5-chloro-3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxylate
CID 175556550
(2R,3S,4S,5R)-3-(2-ethoxy-4-fluoro-3-methylphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxylic acid
CID 166159084
benzyl (2S,3S,4S,5R)-3-(3,4-difluoro-2-phenylmethoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxylate
CID 156750332
methyl 3-[4-(difluoromethoxy)-3-fluoro-2-methoxyphenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxylate
CID 175539928
3-(3-chloro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxylic acid
CID 175556526
methyl (2R)-3-(3,4-difluoro-2-hydroxy-5-iodophenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxylate
CID 175542270
diethyl (4R,5R)-2-methoxy-2-methyl-1,3-dioxolane-4,5-dicarboxylate
CID 14972311
4-[[(2S,3R,4R,5R)-3-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide
CID 169046722
4-[[(2S,3R,4R,5S)-3-(5-chloro-3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide
CID 169047000
(3S,4S,5R)-3-(4-fluoro-2-hydroxy-3-methylphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxylic acid
CID 172526801

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-methoxythiophen-3-yl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxylate?
The IUPAC name of ethyl 3-(4-methoxythiophen-3-yl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxylate (CID 176914537) is ethyl 3-(4-methoxythiophen-3-yl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxylate.
What is the SMILES notation for ethyl 3-(4-methoxythiophen-3-yl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxylate?
The canonical SMILES for ethyl 3-(4-methoxythiophen-3-yl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxylate is CCOC(=O)C1OC(C)(C(F)(F)F)C(C)C1c1cscc1OC.
What is the InChIKey of ethyl 3-(4-methoxythiophen-3-yl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxylate?
The InChIKey is SUNUJINRBOXXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3O4S/c1-5-21-13(19)12-11(9-6-23-7-10(9)20-4)8(2)14(3,22-12)15(16,17)18/h6-8,11-12H,5H2,1-4H3.
What are the key properties of ethyl 3-(4-methoxythiophen-3-yl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxylate?
ethyl 3-(4-methoxythiophen-3-yl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxylate has a molecular weight of 352.37 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-methoxythiophen-3-yl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxylate is sourced from PubChem (CID 176914537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).