1,2-bis(4-fluorophenyl)pyrrolidine-3-carboxylic acid

C17H15F2NO2 — CID 57364162

IUPAC1,2-bis(4-fluorophenyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(c2ccc(F)cc2)C1c1ccc(F)cc1
InChIInChI=1S/C17H15F2NO2/c18-12-3-1-11(2-4-12)16-15(17(21)22)9-10-20(16)14-7-5-13(19)6-8-14/h1-8,15-16H,9-10H2,(H,21,22)
InChIKeyIWERQNBNTKDVHE-UHFFFAOYSA-N
MW303.31 g/mol
LogP3.62
Rot. Bonds3

About 1,2-bis(4-fluorophenyl)pyrrolidine-3-carboxylic acid

1,2-bis(4-fluorophenyl)pyrrolidine-3-carboxylic acid (PubChem CID 57364162) has the molecular formula C17H15F2NO2 and a molecular weight of 303.31 g/mol. Its IUPAC name is 1,2-bis(4-fluorophenyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1,2-bis(4-fluorophenyl)pyrrolidine-3-carboxylic acid
PubChem CID57364162
Molecular FormulaC17H15F2NO2
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Name1,2-bis(4-fluorophenyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(c2ccc(F)cc2)C1c1ccc(F)cc1
InChIInChI=1S/C17H15F2NO2/c18-12-3-1-11(2-4-12)16-15(17(21)22)9-10-20(16)14-7-5-13(19)6-8-14/h1-8,15-16H,9-10H2,(H,21,22)
InChIKeyIWERQNBNTKDVHE-UHFFFAOYSA-N
XLogP3.62
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(4-fluorophenyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1,2-bis(4-fluorophenyl)pyrrolidine-3-carboxylic acid (CID 57364162) is 1,2-bis(4-fluorophenyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1,2-bis(4-fluorophenyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1,2-bis(4-fluorophenyl)pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(c2ccc(F)cc2)C1c1ccc(F)cc1.
What is the InChIKey of 1,2-bis(4-fluorophenyl)pyrrolidine-3-carboxylic acid?
The InChIKey is IWERQNBNTKDVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO2/c18-12-3-1-11(2-4-12)16-15(17(21)22)9-10-20(16)14-7-5-13(19)6-8-14/h1-8,15-16H,9-10H2,(H,21,22).
What are the key properties of 1,2-bis(4-fluorophenyl)pyrrolidine-3-carboxylic acid?
1,2-bis(4-fluorophenyl)pyrrolidine-3-carboxylic acid has a molecular weight of 303.31 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(4-fluorophenyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 57364162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).