2-(2,2-difluoroethoxy)-1-(1-methylpyrrol-2-yl)ethanone

C9H11F2NO2 — CID 82006913

IUPAC2-(2,2-difluoroethoxy)-1-(1-methylpyrrol-2-yl)ethanone
SMILESCn1cccc1C(=O)COCC(F)F
InChIInChI=1S/C9H11F2NO2/c1-12-4-2-3-7(12)8(13)5-14-6-9(10)11/h2-4,9H,5-6H2,1H3
InChIKeyMYFURCLIBNQIEA-UHFFFAOYSA-N
MW203.19 g/mol
LogP1.49
Rot. Bonds5

About 2-(2,2-difluoroethoxy)-1-(1-methylpyrrol-2-yl)ethanone

2-(2,2-difluoroethoxy)-1-(1-methylpyrrol-2-yl)ethanone (PubChem CID 82006913) has the molecular formula C9H11F2NO2 and a molecular weight of 203.19 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-1-(1-methylpyrrol-2-yl)ethanone.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-1-(1-methylpyrrol-2-yl)ethanone
PubChem CID82006913
Molecular FormulaC9H11F2NO2
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name2-(2,2-difluoroethoxy)-1-(1-methylpyrrol-2-yl)ethanone
SMILESCn1cccc1C(=O)COCC(F)F
InChIInChI=1S/C9H11F2NO2/c1-12-4-2-3-7(12)8(13)5-14-6-9(10)11/h2-4,9H,5-6H2,1H3
InChIKeyMYFURCLIBNQIEA-UHFFFAOYSA-N
XLogP1.49
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylpyrrol-2-yl)-2-prop-2-enoxyethanone
CID 62029483
1-(1-methylpyrrol-2-yl)-2-propan-2-yloxyethanone
CID 43798789
1-(1-methylpyrrol-2-yl)-2-[4-(trifluoromethyl)phenoxy]ethanone
CID 60624081
2-(3,5-dimethoxyphenoxy)-1-(1-methylpyrrol-2-yl)ethanone
CID 43411982
2-(methylamino)-1-(1-methylpyrrol-2-yl)ethanone
CID 82594983
1-methylpyrrole-2-carbonyl fluoride
CID 119090351
2-(3-ethoxyphenoxy)-1-(1-methylpyrrol-2-yl)ethanone
CID 55060707
4-[2-(1-methylpyrrol-2-yl)-2-oxoethoxy]benzonitrile
CID 31094678
2-(5-methyl-2-propan-2-ylphenoxy)-1-(1-methylpyrrol-2-yl)ethanone
CID 43412107
2-(5-bromo-2-fluorophenoxy)-1-(1-methylpyrrol-2-yl)ethanone
CID 115918544
2-(3,4-dichlorophenoxy)-1-(1-methylpyrrol-2-yl)ethanone
CID 60624435
2-(2,4-dimethylphenoxy)-1-(1-methylpyrrol-2-yl)ethanone
CID 43411926

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-1-(1-methylpyrrol-2-yl)ethanone?
The IUPAC name of 2-(2,2-difluoroethoxy)-1-(1-methylpyrrol-2-yl)ethanone (CID 82006913) is 2-(2,2-difluoroethoxy)-1-(1-methylpyrrol-2-yl)ethanone.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-1-(1-methylpyrrol-2-yl)ethanone?
The canonical SMILES for 2-(2,2-difluoroethoxy)-1-(1-methylpyrrol-2-yl)ethanone is Cn1cccc1C(=O)COCC(F)F.
What is the InChIKey of 2-(2,2-difluoroethoxy)-1-(1-methylpyrrol-2-yl)ethanone?
The InChIKey is MYFURCLIBNQIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO2/c1-12-4-2-3-7(12)8(13)5-14-6-9(10)11/h2-4,9H,5-6H2,1H3.
What are the key properties of 2-(2,2-difluoroethoxy)-1-(1-methylpyrrol-2-yl)ethanone?
2-(2,2-difluoroethoxy)-1-(1-methylpyrrol-2-yl)ethanone has a molecular weight of 203.19 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-1-(1-methylpyrrol-2-yl)ethanone is sourced from PubChem (CID 82006913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).