1-(1-methylpyrrol-2-yl)-2-[4-(trifluoromethyl)phenoxy]ethanone

C14H12F3NO2 — CID 60624081

IUPAC1-(1-methylpyrrol-2-yl)-2-[4-(trifluoromethyl)phenoxy]ethanone
SMILESCn1cccc1C(=O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H12F3NO2/c1-18-8-2-3-12(18)13(19)9-20-11-6-4-10(5-7-11)14(15,16)17/h2-8H,9H2,1H3
InChIKeyQBTWPUJFLSGLMB-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.31
Rot. Bonds4

About 1-(1-methylpyrrol-2-yl)-2-[4-(trifluoromethyl)phenoxy]ethanone

1-(1-methylpyrrol-2-yl)-2-[4-(trifluoromethyl)phenoxy]ethanone (PubChem CID 60624081) has the molecular formula C14H12F3NO2 and a molecular weight of 283.25 g/mol. Its IUPAC name is 1-(1-methylpyrrol-2-yl)-2-[4-(trifluoromethyl)phenoxy]ethanone.

Molecular Properties

Compound Name1-(1-methylpyrrol-2-yl)-2-[4-(trifluoromethyl)phenoxy]ethanone
PubChem CID60624081
Molecular FormulaC14H12F3NO2
Molecular Weight283.25 g/mol
Exact Mass283.08
IUPAC Name1-(1-methylpyrrol-2-yl)-2-[4-(trifluoromethyl)phenoxy]ethanone
SMILESCn1cccc1C(=O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H12F3NO2/c1-18-8-2-3-12(18)13(19)9-20-11-6-4-10(5-7-11)14(15,16)17/h2-8H,9H2,1H3
InChIKeyQBTWPUJFLSGLMB-UHFFFAOYSA-N
XLogP3.31
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(1-methylpyrrol-2-yl)-2-oxoethoxy]benzonitrile
CID 31094678
1-(1-methylpyrrol-3-yl)-2-[4-(trifluoromethyl)phenoxy]ethanone
CID 60624057
2-(3,5-dimethoxyphenoxy)-1-(1-methylpyrrol-2-yl)ethanone
CID 43411982
2-(3-ethoxyphenoxy)-1-(1-methylpyrrol-2-yl)ethanone
CID 55060707
1-phenyl-2-[4-(trifluoromethyl)phenoxy]ethanone
CID 60624077
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 1-methylpyrrole-2-carboxylate
CID 7284641
1-(1-methylpyrrol-2-yl)-2-propan-2-yloxyethanone
CID 43798789
2-(5-bromo-2-fluorophenoxy)-1-(1-methylpyrrol-2-yl)ethanone
CID 115918544
2-(2,4-dimethylphenoxy)-1-(1-methylpyrrol-2-yl)ethanone
CID 43411926
2-(4-bromo-2-chlorophenoxy)-1-(1-methylpyrrol-2-yl)ethanone
CID 60624990
2-(5-methyl-2-propan-2-ylphenoxy)-1-(1-methylpyrrol-2-yl)ethanone
CID 43412107
1-(1-methylpyrrol-3-yl)-2-[3-(trifluoromethyl)phenoxy]ethanone
CID 60624588

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrol-2-yl)-2-[4-(trifluoromethyl)phenoxy]ethanone?
The IUPAC name of 1-(1-methylpyrrol-2-yl)-2-[4-(trifluoromethyl)phenoxy]ethanone (CID 60624081) is 1-(1-methylpyrrol-2-yl)-2-[4-(trifluoromethyl)phenoxy]ethanone.
What is the SMILES notation for 1-(1-methylpyrrol-2-yl)-2-[4-(trifluoromethyl)phenoxy]ethanone?
The canonical SMILES for 1-(1-methylpyrrol-2-yl)-2-[4-(trifluoromethyl)phenoxy]ethanone is Cn1cccc1C(=O)COc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(1-methylpyrrol-2-yl)-2-[4-(trifluoromethyl)phenoxy]ethanone?
The InChIKey is QBTWPUJFLSGLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2/c1-18-8-2-3-12(18)13(19)9-20-11-6-4-10(5-7-11)14(15,16)17/h2-8H,9H2,1H3.
What are the key properties of 1-(1-methylpyrrol-2-yl)-2-[4-(trifluoromethyl)phenoxy]ethanone?
1-(1-methylpyrrol-2-yl)-2-[4-(trifluoromethyl)phenoxy]ethanone has a molecular weight of 283.25 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrol-2-yl)-2-[4-(trifluoromethyl)phenoxy]ethanone is sourced from PubChem (CID 60624081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).