1-cyclohexyl-2-(4-fluorophenyl)pyrrolidine-3-carboxylic acid

C17H22FNO2 — CID 57367927

IUPAC1-cyclohexyl-2-(4-fluorophenyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C2CCCCC2)C1c1ccc(F)cc1
InChIInChI=1S/C17H22FNO2/c18-13-8-6-12(7-9-13)16-15(17(20)21)10-11-19(16)14-4-2-1-3-5-14/h6-9,14-16H,1-5,10-11H2,(H,20,21)
InChIKeyHGBLYBRRLXMVSE-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.61
Rot. Bonds3

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

1-cyclohexyl-2-(4-fluorophenyl)pyrrolidine-3-carboxylic acid (PubChem CID 57367927) has the molecular formula C17H22FNO2 and a molecular weight of 291.37 g/mol. Its IUPAC name is 1-cyclohexyl-2-(4-fluorophenyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclohexyl-2-(4-fluorophenyl)pyrrolidine-3-carboxylic acid
PubChem CID57367927
Molecular FormulaC17H22FNO2
Molecular Weight291.37 g/mol
Exact Mass291.16
IUPAC Name1-cyclohexyl-2-(4-fluorophenyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C2CCCCC2)C1c1ccc(F)cc1
InChIInChI=1S/C17H22FNO2/c18-13-8-6-12(7-9-13)16-15(17(20)21)10-11-19(16)14-4-2-1-3-5-14/h6-9,14-16H,1-5,10-11H2,(H,20,21)
InChIKeyHGBLYBRRLXMVSE-UHFFFAOYSA-N
XLogP3.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(4-fluorophenyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-cyclohexyl-2-(4-fluorophenyl)pyrrolidine-3-carboxylic acid (CID 57367927) is 1-cyclohexyl-2-(4-fluorophenyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-cyclohexyl-2-(4-fluorophenyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-cyclohexyl-2-(4-fluorophenyl)pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(C2CCCCC2)C1c1ccc(F)cc1.
What is the InChIKey of 1-cyclohexyl-2-(4-fluorophenyl)pyrrolidine-3-carboxylic acid?
The InChIKey is HGBLYBRRLXMVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO2/c18-13-8-6-12(7-9-13)16-15(17(20)21)10-11-19(16)14-4-2-1-3-5-14/h6-9,14-16H,1-5,10-11H2,(H,20,21).
What are the key properties of 1-cyclohexyl-2-(4-fluorophenyl)pyrrolidine-3-carboxylic acid?
1-cyclohexyl-2-(4-fluorophenyl)pyrrolidine-3-carboxylic acid has a molecular weight of 291.37 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(4-fluorophenyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 57367927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).