2-(3-chloro-4-fluorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

C15H15ClFNO2 — CID 60624523

IUPAC2-(3-chloro-4-fluorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
SMILESCc1cc(C(=O)COc2ccc(F)c(Cl)c2)c(C)n1C
InChIInChI=1S/C15H15ClFNO2/c1-9-6-12(10(2)18(9)3)15(19)8-20-11-4-5-14(17)13(16)7-11/h4-7H,8H2,1-3H3
InChIKeyDACDAVOZTMJLTF-UHFFFAOYSA-N
MW295.74 g/mol
LogP3.70
Rot. Bonds4

About 2-(3-chloro-4-fluorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

2-(3-chloro-4-fluorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone (PubChem CID 60624523) has the molecular formula C15H15ClFNO2 and a molecular weight of 295.74 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
PubChem CID60624523
Molecular FormulaC15H15ClFNO2
Molecular Weight295.74 g/mol
Exact Mass295.08
IUPAC Name2-(3-chloro-4-fluorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
SMILESCc1cc(C(=O)COc2ccc(F)c(Cl)c2)c(C)n1C
InChIInChI=1S/C15H15ClFNO2/c1-9-6-12(10(2)18(9)3)15(19)8-20-11-4-5-14(17)13(16)7-11/h4-7H,8H2,1-3H3
InChIKeyDACDAVOZTMJLTF-UHFFFAOYSA-N
XLogP3.70
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.74
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dichlorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 60623947
2-[4-(hydroxymethyl)phenoxy]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 60623742
2-(3-chloro-4-fluorophenoxy)-1-(2,5-difluorophenyl)ethanone
CID 60624522
2-(3-chloro-4-fluorophenoxy)-1-[1-[(3R)-1,1-dioxothiolan-3-yl]-2,5-dimethylpyrrol-3-yl]ethanone
CID 8579813
4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]benzaldehyde
CID 60625346
2-(2,3-difluorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 63037476
2-(5-fluoro-2-methylphenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 102975495
methyl 2-(3-chloro-4-fluorophenoxy)acetate
CID 43235932
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-(4-methoxyphenoxy)acetate
CID 7846678
2-(3-chloro-4-fluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 60624469
2-methoxy-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 43799554
4-fluoro-N-methyl-N-[4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]phenyl]benzenesulfonamide
CID 2078108

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone (CID 60624523) is 2-(3-chloro-4-fluorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone is Cc1cc(C(=O)COc2ccc(F)c(Cl)c2)c(C)n1C.
What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The InChIKey is DACDAVOZTMJLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO2/c1-9-6-12(10(2)18(9)3)15(19)8-20-11-4-5-14(17)13(16)7-11/h4-7H,8H2,1-3H3.
What are the key properties of 2-(3-chloro-4-fluorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
2-(3-chloro-4-fluorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone has a molecular weight of 295.74 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone is sourced from PubChem (CID 60624523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).