2-(2-fluorophenyl)-2-pyrrol-1-ylacetic acid

C12H10FNO2 — CID 14264355

IUPAC2-(2-fluorophenyl)-2-pyrrol-1-ylacetic acid
SMILESO=C(O)C(c1ccccc1F)n1cccc1
InChIInChI=1S/C12H10FNO2/c13-10-6-2-1-5-9(10)11(12(15)16)14-7-3-4-8-14/h1-8,11H,(H,15,16)
InChIKeyPEIDCDLKHMPATE-UHFFFAOYSA-N
MW219.22 g/mol
LogP2.30
Rot. Bonds3

About 2-(2-fluorophenyl)-2-pyrrol-1-ylacetic acid

2-(2-fluorophenyl)-2-pyrrol-1-ylacetic acid (PubChem CID 14264355) has the molecular formula C12H10FNO2 and a molecular weight of 219.22 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-2-pyrrol-1-ylacetic acid.

Molecular Properties

Compound Name2-(2-fluorophenyl)-2-pyrrol-1-ylacetic acid
PubChem CID14264355
Molecular FormulaC12H10FNO2
Molecular Weight219.22 g/mol
Exact Mass219.07
IUPAC Name2-(2-fluorophenyl)-2-pyrrol-1-ylacetic acid
SMILESO=C(O)C(c1ccccc1F)n1cccc1
InChIInChI=1S/C12H10FNO2/c13-10-6-2-1-5-9(10)11(12(15)16)14-7-3-4-8-14/h1-8,11H,(H,15,16)
InChIKeyPEIDCDLKHMPATE-UHFFFAOYSA-N
XLogP2.30
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Acetic acid, (p-(1-pyrrolyl)phenyl)-
CID 30923
3-phenyl-3-(1H-pyrrol-1-yl)propanoic acid
CID 3238289
3-Phenyl-2-(1-pyrrolyl)propanoic acid
CID 3245144
2-(2,5-dimethyl-1H-pyrrol-1-yl)-3-phenylpropanoic acid
CID 654761
1-((2-fluorophenyl)methyl)-1H-pyrrole-2-carboxylic acid
CID 3245457
2-phenyl-2-(1H-pyrrol-1-yl)acetic acid
CID 2741447
3-[1-(carboxymethyl)-5-(4-fluorophenyl)-1H-pyrrol-2-yl]propanoic acid
CID 650632
Phenylpropanoic acid derivative, 33
CID 44263419
Phenylpropanoic acid derivative, 44
CID 44263422
Phenylpropanoic acid derivative, 60
CID 44263425
4-(1H-pyrrol-1-ylmethyl)benzoic acid
CID 957070
2-(N-(2-fluorophenyl)pyrrol-2-yl) acetic acid
CID 44434500

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-2-pyrrol-1-ylacetic acid?
The IUPAC name of 2-(2-fluorophenyl)-2-pyrrol-1-ylacetic acid (CID 14264355) is 2-(2-fluorophenyl)-2-pyrrol-1-ylacetic acid.
What is the SMILES notation for 2-(2-fluorophenyl)-2-pyrrol-1-ylacetic acid?
The canonical SMILES for 2-(2-fluorophenyl)-2-pyrrol-1-ylacetic acid is O=C(O)C(c1ccccc1F)n1cccc1.
What is the InChIKey of 2-(2-fluorophenyl)-2-pyrrol-1-ylacetic acid?
The InChIKey is PEIDCDLKHMPATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2/c13-10-6-2-1-5-9(10)11(12(15)16)14-7-3-4-8-14/h1-8,11H,(H,15,16).
What are the key properties of 2-(2-fluorophenyl)-2-pyrrol-1-ylacetic acid?
2-(2-fluorophenyl)-2-pyrrol-1-ylacetic acid has a molecular weight of 219.22 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-2-pyrrol-1-ylacetic acid is sourced from PubChem (CID 14264355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).