1-(2,4-difluorophenyl)-3-methoxy-2,5-dimethylpyrrole

C13H13F2NO — CID 18972381

IUPAC1-(2,4-difluorophenyl)-3-methoxy-2,5-dimethylpyrrole
SMILESCOc1cc(C)n(-c2ccc(F)cc2F)c1C
InChIInChI=1S/C13H13F2NO/c1-8-6-13(17-3)9(2)16(8)12-5-4-10(14)7-11(12)15/h4-7H,1-3H3
InChIKeySVUAEHBHHMIWJZ-UHFFFAOYSA-N
MW237.25 g/mol
LogP3.38
Rot. Bonds2

About 1-(2,4-difluorophenyl)-3-methoxy-2,5-dimethylpyrrole

1-(2,4-difluorophenyl)-3-methoxy-2,5-dimethylpyrrole (PubChem CID 18972381) has the molecular formula C13H13F2NO and a molecular weight of 237.25 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-methoxy-2,5-dimethylpyrrole.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-methoxy-2,5-dimethylpyrrole
PubChem CID18972381
Molecular FormulaC13H13F2NO
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name1-(2,4-difluorophenyl)-3-methoxy-2,5-dimethylpyrrole
SMILESCOc1cc(C)n(-c2ccc(F)cc2F)c1C
InChIInChI=1S/C13H13F2NO/c1-8-6-13(17-3)9(2)16(8)12-5-4-10(14)7-11(12)15/h4-7H,1-3H3
InChIKeySVUAEHBHHMIWJZ-UHFFFAOYSA-N
XLogP3.38
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-difluorophenyl)-3-methoxy-2,5-dimethyl-2H-pyridine
CID 150690778
4-(3-bromo-2,5-dimethylpyrrol-1-yl)-3-fluoroaniline
CID 82514598
ethane;4-fluoro-1-methoxy-2-methylbenzene
CID 143329013
1-(2,4-difluorophenyl)-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine
CID 113079942
1-(2,4-difluorophenyl)-6-methyl-2-oxopyridine-3-carbonitrile
CID 58158462
4,5-difluoro-3-(4-fluoro-2-methoxyphenyl)-1H-benzimidazole-2-thione
CID 62531346
2,4-difluoro-N-(2-methoxyphenyl)aniline
CID 82537085
5-fluoro-1-(2-fluoro-4-methylphenyl)-6-methoxybenzimidazol-2-amine
CID 63597352
1-(4-fluoro-2-iodophenyl)-2,5-dimethylpyrrole-3-carbaldehyde
CID 79765998
9-(4-fluoro-2-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62714541
1-(2,4-difluorophenyl)-5-methylpyrazol-3-amine
CID 42692484
(4-fluorophenyl)methyl 1-(5-chloro-2-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxylate
CID 7175379

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-methoxy-2,5-dimethylpyrrole?
The IUPAC name of 1-(2,4-difluorophenyl)-3-methoxy-2,5-dimethylpyrrole (CID 18972381) is 1-(2,4-difluorophenyl)-3-methoxy-2,5-dimethylpyrrole.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-methoxy-2,5-dimethylpyrrole?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-methoxy-2,5-dimethylpyrrole is COc1cc(C)n(-c2ccc(F)cc2F)c1C.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-methoxy-2,5-dimethylpyrrole?
The InChIKey is SVUAEHBHHMIWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO/c1-8-6-13(17-3)9(2)16(8)12-5-4-10(14)7-11(12)15/h4-7H,1-3H3.
What are the key properties of 1-(2,4-difluorophenyl)-3-methoxy-2,5-dimethylpyrrole?
1-(2,4-difluorophenyl)-3-methoxy-2,5-dimethylpyrrole has a molecular weight of 237.25 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-methoxy-2,5-dimethylpyrrole is sourced from PubChem (CID 18972381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).