ethyl 2-methoxy-6-(trifluoromethyl)-2,5-dihydropyran-6-carboxylate

C10H13F3O4 — CID 44514524

IUPACethyl 2-methoxy-6-(trifluoromethyl)-2,5-dihydropyran-6-carboxylate
SMILESCCOC(=O)C1(C(F)(F)F)CC=CC(OC)O1
InChIInChI=1S/C10H13F3O4/c1-3-16-8(14)9(10(11,12)13)6-4-5-7(15-2)17-9/h4-5,7H,3,6H2,1-2H3
InChIKeyFETWXFHNUUNDRP-UHFFFAOYSA-N
MW254.20 g/mol
LogP1.80
Rot. Bonds3

About ethyl 2-methoxy-6-(trifluoromethyl)-2,5-dihydropyran-6-carboxylate

ethyl 2-methoxy-6-(trifluoromethyl)-2,5-dihydropyran-6-carboxylate (PubChem CID 44514524) has the molecular formula C10H13F3O4 and a molecular weight of 254.20 g/mol. Its IUPAC name is ethyl 2-methoxy-6-(trifluoromethyl)-2,5-dihydropyran-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-methoxy-6-(trifluoromethyl)-2,5-dihydropyran-6-carboxylate
PubChem CID44514524
Molecular FormulaC10H13F3O4
Molecular Weight254.20 g/mol
Exact Mass254.08
IUPAC Nameethyl 2-methoxy-6-(trifluoromethyl)-2,5-dihydropyran-6-carboxylate
SMILESCCOC(=O)C1(C(F)(F)F)CC=CC(OC)O1
InChIInChI=1S/C10H13F3O4/c1-3-16-8(14)9(10(11,12)13)6-4-5-7(15-2)17-9/h4-5,7H,3,6H2,1-2H3
InChIKeyFETWXFHNUUNDRP-UHFFFAOYSA-N
XLogP1.80
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.20
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Diethyl 2-methoxy-2,5-dihydropyran-6,6-dicarboxylate
CID 12200212
ethyl (2R,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-carboxylate
CID 11735582
Ethyl 6-ethoxy-3,6-dihydro-2H-pyran-2-carboxylate
CID 557312
methyl 2-(trifluoromethyl)-3,6-dihydro-2H-pyran-2-carboxylate
CID 4920697
ethyl 3,3-difluoro-2-methyl-3,6-dihydro-2H-pyran-2-carboxylate
CID 86690124
[2-(trifluoromethyl)-3,6-dihydro-2H-pyran-6-yl] 2-(trifluoromethyl)-3,6-dihydro-2H-pyran-6-carboxylate
CID 142798141
2H-Pyran-2-carboxylic acid, 3,6-dihydro-6-methoxy-, methyl ester
CID 557266
Ethyl 6-butoxy-3,6-dihydro-2H-pyran-2-carboxylate
CID 593200
methyl (2S,6R)-6-methoxy-3,6-dihydro-2H-pyran-2-carboxylate
CID 10866788
Ethyl 2-methoxy-6-methyl-2,5-dihydropyran-6-carboxylate
CID 12266257
ethyl (2S,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-carboxylate
CID 92860719
methyl (6S)-6-(trifluoromethyl)-2,5-dihydropyran-6-carboxylate
CID 7323297

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methoxy-6-(trifluoromethyl)-2,5-dihydropyran-6-carboxylate?
The IUPAC name of ethyl 2-methoxy-6-(trifluoromethyl)-2,5-dihydropyran-6-carboxylate (CID 44514524) is ethyl 2-methoxy-6-(trifluoromethyl)-2,5-dihydropyran-6-carboxylate.
What is the SMILES notation for ethyl 2-methoxy-6-(trifluoromethyl)-2,5-dihydropyran-6-carboxylate?
The canonical SMILES for ethyl 2-methoxy-6-(trifluoromethyl)-2,5-dihydropyran-6-carboxylate is CCOC(=O)C1(C(F)(F)F)CC=CC(OC)O1.
What is the InChIKey of ethyl 2-methoxy-6-(trifluoromethyl)-2,5-dihydropyran-6-carboxylate?
The InChIKey is FETWXFHNUUNDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3O4/c1-3-16-8(14)9(10(11,12)13)6-4-5-7(15-2)17-9/h4-5,7H,3,6H2,1-2H3.
What are the key properties of ethyl 2-methoxy-6-(trifluoromethyl)-2,5-dihydropyran-6-carboxylate?
ethyl 2-methoxy-6-(trifluoromethyl)-2,5-dihydropyran-6-carboxylate has a molecular weight of 254.20 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methoxy-6-(trifluoromethyl)-2,5-dihydropyran-6-carboxylate is sourced from PubChem (CID 44514524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).