2-(3,4-difluorophenyl)-2-pyrrol-1-ylacetic acid

C12H9F2NO2 — CID 23092035

IUPAC2-(3,4-difluorophenyl)-2-pyrrol-1-ylacetic acid
SMILESO=C(O)C(c1ccc(F)c(F)c1)n1cccc1
InChIInChI=1S/C12H9F2NO2/c13-9-4-3-8(7-10(9)14)11(12(16)17)15-5-1-2-6-15/h1-7,11H,(H,16,17)
InChIKeyUYTDJFHWCGTTCQ-UHFFFAOYSA-N
MW237.21 g/mol
LogP2.44
Rot. Bonds3

About 2-(3,4-difluorophenyl)-2-pyrrol-1-ylacetic acid

2-(3,4-difluorophenyl)-2-pyrrol-1-ylacetic acid (PubChem CID 23092035) has the molecular formula C12H9F2NO2 and a molecular weight of 237.21 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-2-pyrrol-1-ylacetic acid.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-2-pyrrol-1-ylacetic acid
PubChem CID23092035
Molecular FormulaC12H9F2NO2
Molecular Weight237.21 g/mol
Exact Mass237.06
IUPAC Name2-(3,4-difluorophenyl)-2-pyrrol-1-ylacetic acid
SMILESO=C(O)C(c1ccc(F)c(F)c1)n1cccc1
InChIInChI=1S/C12H9F2NO2/c13-9-4-3-8(7-10(9)14)11(12(16)17)15-5-1-2-6-15/h1-7,11H,(H,16,17)
InChIKeyUYTDJFHWCGTTCQ-UHFFFAOYSA-N
XLogP2.44
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-2-pyrrol-1-ylacetic acid?
The IUPAC name of 2-(3,4-difluorophenyl)-2-pyrrol-1-ylacetic acid (CID 23092035) is 2-(3,4-difluorophenyl)-2-pyrrol-1-ylacetic acid.
What is the SMILES notation for 2-(3,4-difluorophenyl)-2-pyrrol-1-ylacetic acid?
The canonical SMILES for 2-(3,4-difluorophenyl)-2-pyrrol-1-ylacetic acid is O=C(O)C(c1ccc(F)c(F)c1)n1cccc1.
What is the InChIKey of 2-(3,4-difluorophenyl)-2-pyrrol-1-ylacetic acid?
The InChIKey is UYTDJFHWCGTTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2NO2/c13-9-4-3-8(7-10(9)14)11(12(16)17)15-5-1-2-6-15/h1-7,11H,(H,16,17).
What are the key properties of 2-(3,4-difluorophenyl)-2-pyrrol-1-ylacetic acid?
2-(3,4-difluorophenyl)-2-pyrrol-1-ylacetic acid has a molecular weight of 237.21 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-2-pyrrol-1-ylacetic acid is sourced from PubChem (CID 23092035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).