2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]acetic acid

C14H14FNO2 — CID 3039301

IUPAC2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]acetic acid
SMILESCc1cc(CC(=O)O)c(C)n1-c1ccc(F)cc1
InChIInChI=1S/C14H14FNO2/c1-9-7-11(8-14(17)18)10(2)16(9)13-5-3-12(15)4-6-13/h3-7H,8H2,1-2H3,(H,17,18)
InChIKeyMUUKTZUQKRDEPH-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.86
Rot. Bonds3

About 2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]acetic acid

2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]acetic acid (PubChem CID 3039301) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]acetic acid
PubChem CID3039301
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC Name2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]acetic acid
SMILESCc1cc(CC(=O)O)c(C)n1-c1ccc(F)cc1
InChIInChI=1S/C14H14FNO2/c1-9-7-11(8-14(17)18)10(2)16(9)13-5-3-12(15)4-6-13/h3-7H,8H2,1-2H3,(H,17,18)
InChIKeyMUUKTZUQKRDEPH-UHFFFAOYSA-N
XLogP2.86
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Clopirac
CID 39299
2-(4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl)acetic acid
CID 767161
4-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoic acid
CID 459078
1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(4-methylphenyl)-
CID 3039302
1-(3-fluorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
CID 16228190
2-(N-(2-Ffuorophenyl)pyrrol-3-yl) acetic acid
CID 44434501
3-[1-Allyl-5-(4-fluoro-phenyl)-1H-pyrrol-2-yl]-propionic acid
CID 954451
1-(4-Fluorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
CID 5008278
1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-phenyl-
CID 3042741
3-[5-(4-fluorophenyl)-1-propyl-1H-pyrrol-2-yl]propanoic acid
CID 893693
3-[1-(4-ethylphenyl)-5-(4-fluorophenyl)-1H-pyrrol-2-yl]propanoic acid
CID 3443656
1-(2-fluorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
CID 16228377

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]acetic acid?
The IUPAC name of 2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]acetic acid (CID 3039301) is 2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]acetic acid?
The canonical SMILES for 2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]acetic acid is Cc1cc(CC(=O)O)c(C)n1-c1ccc(F)cc1.
What is the InChIKey of 2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]acetic acid?
The InChIKey is MUUKTZUQKRDEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2/c1-9-7-11(8-14(17)18)10(2)16(9)13-5-3-12(15)4-6-13/h3-7H,8H2,1-2H3,(H,17,18).
What are the key properties of 2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]acetic acid?
2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]acetic acid has a molecular weight of 247.27 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]acetic acid is sourced from PubChem (CID 3039301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).