2-(2,3-difluorophenoxy)-1-(1-methylpyrrol-3-yl)ethanone

C13H11F2NO2 — CID 55144573

IUPAC2-(2,3-difluorophenoxy)-1-(1-methylpyrrol-3-yl)ethanone
SMILESCn1ccc(C(=O)COc2cccc(F)c2F)c1
InChIInChI=1S/C13H11F2NO2/c1-16-6-5-9(7-16)11(17)8-18-12-4-2-3-10(14)13(12)15/h2-7H,8H2,1H3
InChIKeyRCELQFKPBNHGGH-UHFFFAOYSA-N
MW251.23 g/mol
LogP2.57
Rot. Bonds4

About 2-(2,3-difluorophenoxy)-1-(1-methylpyrrol-3-yl)ethanone

2-(2,3-difluorophenoxy)-1-(1-methylpyrrol-3-yl)ethanone (PubChem CID 55144573) has the molecular formula C13H11F2NO2 and a molecular weight of 251.23 g/mol. Its IUPAC name is 2-(2,3-difluorophenoxy)-1-(1-methylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-(2,3-difluorophenoxy)-1-(1-methylpyrrol-3-yl)ethanone
PubChem CID55144573
Molecular FormulaC13H11F2NO2
Molecular Weight251.23 g/mol
Exact Mass251.08
IUPAC Name2-(2,3-difluorophenoxy)-1-(1-methylpyrrol-3-yl)ethanone
SMILESCn1ccc(C(=O)COc2cccc(F)c2F)c1
InChIInChI=1S/C13H11F2NO2/c1-16-6-5-9(7-16)11(17)8-18-12-4-2-3-10(14)13(12)15/h2-7H,8H2,1H3
InChIKeyRCELQFKPBNHGGH-UHFFFAOYSA-N
XLogP2.57
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.23
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylphenoxy)-1-(1-methylpyrrol-3-yl)ethanone
CID 43413142
2-(4-bromo-2-chloro-5-fluorophenoxy)-1-(1-methylpyrrol-3-yl)ethanone
CID 114270934
2-(2,3-difluorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 63037476
methyl 2-(2,3-difluorophenoxy)acetate
CID 63037600
2-(4-bromo-5-fluoro-2-nitrophenoxy)-1-(1-methylpyrrol-3-yl)ethanone
CID 103483425
1-(1-methylpyrrol-3-yl)-2-[3-(trifluoromethyl)phenoxy]ethanone
CID 60624588
2-(2-methyl-5-propan-2-ylphenoxy)-1-(1-methylpyrrol-3-yl)ethanone
CID 60623581
2-(2-methoxy-4-methylphenoxy)-1-(1-methylpyrrol-3-yl)ethanone
CID 43413893
1-(1-methylpyrrol-3-yl)-2-[4-(trifluoromethyl)phenoxy]ethanone
CID 60624057
2-(4-bromo-2,5-dichlorophenoxy)-1-(1-methylpyrrol-3-yl)ethanone
CID 106544771
4-[2-(1-methylpyrrol-3-yl)-2-oxoethoxy]benzonitrile
CID 31411184
2-(2-fluorophenoxy)-N-[2-(1-methylpyrrol-3-yl)ethyl]acetamide
CID 110789233

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenoxy)-1-(1-methylpyrrol-3-yl)ethanone?
The IUPAC name of 2-(2,3-difluorophenoxy)-1-(1-methylpyrrol-3-yl)ethanone (CID 55144573) is 2-(2,3-difluorophenoxy)-1-(1-methylpyrrol-3-yl)ethanone.
What is the SMILES notation for 2-(2,3-difluorophenoxy)-1-(1-methylpyrrol-3-yl)ethanone?
The canonical SMILES for 2-(2,3-difluorophenoxy)-1-(1-methylpyrrol-3-yl)ethanone is Cn1ccc(C(=O)COc2cccc(F)c2F)c1.
What is the InChIKey of 2-(2,3-difluorophenoxy)-1-(1-methylpyrrol-3-yl)ethanone?
The InChIKey is RCELQFKPBNHGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO2/c1-16-6-5-9(7-16)11(17)8-18-12-4-2-3-10(14)13(12)15/h2-7H,8H2,1H3.
What are the key properties of 2-(2,3-difluorophenoxy)-1-(1-methylpyrrol-3-yl)ethanone?
2-(2,3-difluorophenoxy)-1-(1-methylpyrrol-3-yl)ethanone has a molecular weight of 251.23 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenoxy)-1-(1-methylpyrrol-3-yl)ethanone is sourced from PubChem (CID 55144573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).