2-(3,5-difluorophenoxy)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone

C16H17F2NO2 — CID 62400323

IUPAC2-(3,5-difluorophenoxy)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone
SMILESCCn1c(C)cc(C(=O)COc2cc(F)cc(F)c2)c1C
InChIInChI=1S/C16H17F2NO2/c1-4-19-10(2)5-15(11(19)3)16(20)9-21-14-7-12(17)6-13(18)8-14/h5-8H,4,9H2,1-3H3
InChIKeyUXWJHPAKRHQTQV-UHFFFAOYSA-N
MW293.31 g/mol
LogP3.66
Rot. Bonds5

About 2-(3,5-difluorophenoxy)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone

2-(3,5-difluorophenoxy)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone (PubChem CID 62400323) has the molecular formula C16H17F2NO2 and a molecular weight of 293.31 g/mol. Its IUPAC name is 2-(3,5-difluorophenoxy)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-(3,5-difluorophenoxy)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone
PubChem CID62400323
Molecular FormulaC16H17F2NO2
Molecular Weight293.31 g/mol
Exact Mass293.12
IUPAC Name2-(3,5-difluorophenoxy)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone
SMILESCCn1c(C)cc(C(=O)COc2cc(F)cc(F)c2)c1C
InChIInChI=1S/C16H17F2NO2/c1-4-19-10(2)5-15(11(19)3)16(20)9-21-14-7-12(17)6-13(18)8-14/h5-8H,4,9H2,1-3H3
InChIKeyUXWJHPAKRHQTQV-UHFFFAOYSA-N
XLogP3.66
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenoxy)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone?
The IUPAC name of 2-(3,5-difluorophenoxy)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone (CID 62400323) is 2-(3,5-difluorophenoxy)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone.
What is the SMILES notation for 2-(3,5-difluorophenoxy)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone?
The canonical SMILES for 2-(3,5-difluorophenoxy)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone is CCn1c(C)cc(C(=O)COc2cc(F)cc(F)c2)c1C.
What is the InChIKey of 2-(3,5-difluorophenoxy)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone?
The InChIKey is UXWJHPAKRHQTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO2/c1-4-19-10(2)5-15(11(19)3)16(20)9-21-14-7-12(17)6-13(18)8-14/h5-8H,4,9H2,1-3H3.
What are the key properties of 2-(3,5-difluorophenoxy)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone?
2-(3,5-difluorophenoxy)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone has a molecular weight of 293.31 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenoxy)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone is sourced from PubChem (CID 62400323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).