4-[2-(4-fluorophenyl)-4-methylpyrrol-1-yl]butanoic acid

C15H16FNO2 — CID 82363976

IUPAC4-[2-(4-fluorophenyl)-4-methylpyrrol-1-yl]butanoic acid
SMILESCc1cc(-c2ccc(F)cc2)n(CCCC(=O)O)c1
InChIInChI=1S/C15H16FNO2/c1-11-9-14(12-4-6-13(16)7-5-12)17(10-11)8-2-3-15(18)19/h4-7,9-10H,2-3,8H2,1H3,(H,18,19)
InChIKeyLTQBONZYWVUWBQ-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.47
Rot. Bonds5

About 4-[2-(4-fluorophenyl)-4-methylpyrrol-1-yl]butanoic acid

4-[2-(4-fluorophenyl)-4-methylpyrrol-1-yl]butanoic acid (PubChem CID 82363976) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-4-methylpyrrol-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-4-methylpyrrol-1-yl]butanoic acid
PubChem CID82363976
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name4-[2-(4-fluorophenyl)-4-methylpyrrol-1-yl]butanoic acid
SMILESCc1cc(-c2ccc(F)cc2)n(CCCC(=O)O)c1
InChIInChI=1S/C15H16FNO2/c1-11-9-14(12-4-6-13(16)7-5-12)17(10-11)8-2-3-15(18)19/h4-7,9-10H,2-3,8H2,1H3,(H,18,19)
InChIKeyLTQBONZYWVUWBQ-UHFFFAOYSA-N
XLogP3.47
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methyl-2-phenylpyrrol-1-yl)propanoic acid
CID 82363949
4-(2-methylpyrrol-1-yl)butanoic acid
CID 86172313
3-[3-[2-(dimethylamino)acetyl]-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]propanoic acid
CID 170895761
dodecanedioic acid;1,4-xylene
CID 66586315
3-[1-(2-carboxyethyl)-5-(4-fluorophenyl)pyrrol-2-yl]propanoic acid
CID 894144
3-[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]propanoic acid
CID 91871983
pentanedioic acid;toluene
CID 159822689
3-[5-(4-fluorophenyl)-2-methyl-3-[2-(4-methylpiperazin-1-yl)acetyl]pyrrol-1-yl]propanoic acid
CID 170861249
3-[2-(4-fluorophenyl)-5,6-dimethylbenzimidazol-1-yl]propanoic acid
CID 94748004
4-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)butanoic acid
CID 119994278
4-[5-(4-fluoro-2-methylphenyl)tetrazol-1-yl]butanoic acid
CID 113400421
7-[2-(4-fluorophenyl)-3,4-dihydroxy-5-propan-2-ylpyrrol-1-yl]heptanoic acid
CID 141004681

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)-4-methylpyrrol-1-yl]butanoic acid?
The IUPAC name of 4-[2-(4-fluorophenyl)-4-methylpyrrol-1-yl]butanoic acid (CID 82363976) is 4-[2-(4-fluorophenyl)-4-methylpyrrol-1-yl]butanoic acid.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-4-methylpyrrol-1-yl]butanoic acid?
The canonical SMILES for 4-[2-(4-fluorophenyl)-4-methylpyrrol-1-yl]butanoic acid is Cc1cc(-c2ccc(F)cc2)n(CCCC(=O)O)c1.
What is the InChIKey of 4-[2-(4-fluorophenyl)-4-methylpyrrol-1-yl]butanoic acid?
The InChIKey is LTQBONZYWVUWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c1-11-9-14(12-4-6-13(16)7-5-12)17(10-11)8-2-3-15(18)19/h4-7,9-10H,2-3,8H2,1H3,(H,18,19).
What are the key properties of 4-[2-(4-fluorophenyl)-4-methylpyrrol-1-yl]butanoic acid?
4-[2-(4-fluorophenyl)-4-methylpyrrol-1-yl]butanoic acid has a molecular weight of 261.30 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)-4-methylpyrrol-1-yl]butanoic acid is sourced from PubChem (CID 82363976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).