3-(3,5-difluorophenyl)-1-(2-methoxyethyl)pyrrole

C13H13F2NO — CID 141352906

IUPAC3-(3,5-difluorophenyl)-1-(2-methoxyethyl)pyrrole
SMILESCOCCn1ccc(-c2cc(F)cc(F)c2)c1
InChIInChI=1S/C13H13F2NO/c1-17-5-4-16-3-2-10(9-16)11-6-12(14)8-13(15)7-11/h2-3,6-9H,4-5H2,1H3
InChIKeyGYYICZIMPSQYFZ-UHFFFAOYSA-N
MW237.25 g/mol
LogP3.08
Rot. Bonds4

About 3-(3,5-difluorophenyl)-1-(2-methoxyethyl)pyrrole

3-(3,5-difluorophenyl)-1-(2-methoxyethyl)pyrrole (PubChem CID 141352906) has the molecular formula C13H13F2NO and a molecular weight of 237.25 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)-1-(2-methoxyethyl)pyrrole.

Molecular Properties

Compound Name3-(3,5-difluorophenyl)-1-(2-methoxyethyl)pyrrole
PubChem CID141352906
Molecular FormulaC13H13F2NO
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name3-(3,5-difluorophenyl)-1-(2-methoxyethyl)pyrrole
SMILESCOCCn1ccc(-c2cc(F)cc(F)c2)c1
InChIInChI=1S/C13H13F2NO/c1-17-5-4-16-3-2-10(9-16)11-6-12(14)8-13(15)7-11/h2-3,6-9H,4-5H2,1H3
InChIKeyGYYICZIMPSQYFZ-UHFFFAOYSA-N
XLogP3.08
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-1-(2-methoxyethyl)imidazole
CID 170388204
1-(2-methoxyethyl)-3-methylpyridin-4-one
CID 130577029
1-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylpropan-1-ol
CID 79097770
[1-(2-methoxyethyl)imidazol-4-yl]methanamine
CID 82467874
2-(3,5-difluorophenyl)-1-(2-methoxyethyl)-6-oxopyrimidine-5-carboxylic acid
CID 67955047
[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-3-yl]methanol
CID 113427301
N-ethyl-1-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylpropan-1-amine
CID 79098074
1,3-difluoro-5-(4-methoxyphenyl)benzene
CID 11499528
2,2,2-trifluoro-1-[1-(4-methoxybutyl)pyrrol-3-yl]ethanol
CID 104648644
N-[3-fluoro-5-[[1-(2-methoxyethyl)pyrazole-3-carbonyl]amino]phenyl]-1-(2-methoxyethyl)pyrazole-3-carboxamide
CID 166224452
6-(3,5-difluorophenyl)-3-methylindolizine
CID 159489161
[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-3-yl]methanamine
CID 66408847

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenyl)-1-(2-methoxyethyl)pyrrole?
The IUPAC name of 3-(3,5-difluorophenyl)-1-(2-methoxyethyl)pyrrole (CID 141352906) is 3-(3,5-difluorophenyl)-1-(2-methoxyethyl)pyrrole.
What is the SMILES notation for 3-(3,5-difluorophenyl)-1-(2-methoxyethyl)pyrrole?
The canonical SMILES for 3-(3,5-difluorophenyl)-1-(2-methoxyethyl)pyrrole is COCCn1ccc(-c2cc(F)cc(F)c2)c1.
What is the InChIKey of 3-(3,5-difluorophenyl)-1-(2-methoxyethyl)pyrrole?
The InChIKey is GYYICZIMPSQYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO/c1-17-5-4-16-3-2-10(9-16)11-6-12(14)8-13(15)7-11/h2-3,6-9H,4-5H2,1H3.
What are the key properties of 3-(3,5-difluorophenyl)-1-(2-methoxyethyl)pyrrole?
3-(3,5-difluorophenyl)-1-(2-methoxyethyl)pyrrole has a molecular weight of 237.25 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenyl)-1-(2-methoxyethyl)pyrrole is sourced from PubChem (CID 141352906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).