methyl 3-[2-(3-fluorophenyl)ethoxy]-1-methylpyrrole-2-carboxylate

C15H16FNO3 — CID 167907825

IUPACmethyl 3-[2-(3-fluorophenyl)ethoxy]-1-methylpyrrole-2-carboxylate
SMILESCOC(=O)c1c(OCCc2cccc(F)c2)ccn1C
InChIInChI=1S/C15H16FNO3/c1-17-8-6-13(14(17)15(18)19-2)20-9-7-11-4-3-5-12(16)10-11/h3-6,8,10H,7,9H2,1-2H3
InChIKeyQYHRNFGJVJSXTI-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.57
Rot. Bonds5

About methyl 3-[2-(3-fluorophenyl)ethoxy]-1-methylpyrrole-2-carboxylate

methyl 3-[2-(3-fluorophenyl)ethoxy]-1-methylpyrrole-2-carboxylate (PubChem CID 167907825) has the molecular formula C15H16FNO3 and a molecular weight of 277.30 g/mol. Its IUPAC name is methyl 3-[2-(3-fluorophenyl)ethoxy]-1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[2-(3-fluorophenyl)ethoxy]-1-methylpyrrole-2-carboxylate
PubChem CID167907825
Molecular FormulaC15H16FNO3
Molecular Weight277.30 g/mol
Exact Mass277.11
IUPAC Namemethyl 3-[2-(3-fluorophenyl)ethoxy]-1-methylpyrrole-2-carboxylate
SMILESCOC(=O)c1c(OCCc2cccc(F)c2)ccn1C
InChIInChI=1S/C15H16FNO3/c1-17-8-6-13(14(17)15(18)19-2)20-9-7-11-4-3-5-12(16)10-11/h3-6,8,10H,7,9H2,1-2H3
InChIKeyQYHRNFGJVJSXTI-UHFFFAOYSA-N
XLogP2.57
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(3-fluorophenyl)ethoxy]-1-methylpyrrole-2-carboxylate?
The IUPAC name of methyl 3-[2-(3-fluorophenyl)ethoxy]-1-methylpyrrole-2-carboxylate (CID 167907825) is methyl 3-[2-(3-fluorophenyl)ethoxy]-1-methylpyrrole-2-carboxylate.
What is the SMILES notation for methyl 3-[2-(3-fluorophenyl)ethoxy]-1-methylpyrrole-2-carboxylate?
The canonical SMILES for methyl 3-[2-(3-fluorophenyl)ethoxy]-1-methylpyrrole-2-carboxylate is COC(=O)c1c(OCCc2cccc(F)c2)ccn1C.
What is the InChIKey of methyl 3-[2-(3-fluorophenyl)ethoxy]-1-methylpyrrole-2-carboxylate?
The InChIKey is QYHRNFGJVJSXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3/c1-17-8-6-13(14(17)15(18)19-2)20-9-7-11-4-3-5-12(16)10-11/h3-6,8,10H,7,9H2,1-2H3.
What are the key properties of methyl 3-[2-(3-fluorophenyl)ethoxy]-1-methylpyrrole-2-carboxylate?
methyl 3-[2-(3-fluorophenyl)ethoxy]-1-methylpyrrole-2-carboxylate has a molecular weight of 277.30 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(3-fluorophenyl)ethoxy]-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 167907825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).