2-fluoro-5-pyrrolidin-1-ylbenzoic acid

C11H12FNO2 — CID 15372186

IUPAC2-fluoro-5-pyrrolidin-1-ylbenzoic acid
SMILESO=C(O)c1cc(N2CCCC2)ccc1F
InChIInChI=1S/C11H12FNO2/c12-10-4-3-8(7-9(10)11(14)15)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H,14,15)
InChIKeyXHQASETZWCLMQB-UHFFFAOYSA-N
MW209.22 g/mol
LogP2.12
Rot. Bonds2

About 2-fluoro-5-pyrrolidin-1-ylbenzoic acid

2-fluoro-5-pyrrolidin-1-ylbenzoic acid (PubChem CID 15372186) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is 2-fluoro-5-pyrrolidin-1-ylbenzoic acid.

Molecular Properties

Compound Name2-fluoro-5-pyrrolidin-1-ylbenzoic acid
PubChem CID15372186
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name2-fluoro-5-pyrrolidin-1-ylbenzoic acid
SMILESO=C(O)c1cc(N2CCCC2)ccc1F
InChIInChI=1S/C11H12FNO2/c12-10-4-3-8(7-9(10)11(14)15)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H,14,15)
InChIKeyXHQASETZWCLMQB-UHFFFAOYSA-N
XLogP2.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-pyrrolidin-1-ylbenzoic acid?
The IUPAC name of 2-fluoro-5-pyrrolidin-1-ylbenzoic acid (CID 15372186) is 2-fluoro-5-pyrrolidin-1-ylbenzoic acid.
What is the SMILES notation for 2-fluoro-5-pyrrolidin-1-ylbenzoic acid?
The canonical SMILES for 2-fluoro-5-pyrrolidin-1-ylbenzoic acid is O=C(O)c1cc(N2CCCC2)ccc1F.
What is the InChIKey of 2-fluoro-5-pyrrolidin-1-ylbenzoic acid?
The InChIKey is XHQASETZWCLMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c12-10-4-3-8(7-9(10)11(14)15)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H,14,15).
What are the key properties of 2-fluoro-5-pyrrolidin-1-ylbenzoic acid?
2-fluoro-5-pyrrolidin-1-ylbenzoic acid has a molecular weight of 209.22 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-pyrrolidin-1-ylbenzoic acid is sourced from PubChem (CID 15372186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).