3-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]cyclopentane-1-carboxylic acid

C22H20F3NO2 — CID 175447345

About 3-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]cyclopentane-1-carboxylic acid

3-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]cyclopentane-1-carboxylic acid (PubChem CID 175447345) has the molecular formula C22H20F3NO2 and a molecular weight of 387.40 g/mol. Its IUPAC name is 3-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

• Compound Name: 3-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]cyclopentane-1-carboxylic acid
• PubChem CID: 175447345
• Molecular Formula: C22H20F3NO2
• Molecular Weight: 387.40 g/mol
• Exact Mass: 387.14
• IUPAC Name: 3-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]cyclopentane-1-carboxylic acid
• SMILES: O=C(O)C1CCC(CCc2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1
• InChI: InChI=1S/C22H20F3NO2/c23-15-6-4-13(5-7-15)20-17(8-2-12-1-3-14(9-12)22(27)28)18-10-16(24)11-19(25)21(18)26-20/h4-7,10-12,14,26H,1-3,8-9H2,(H,27,28)
• InChIKey: PZGSVKSWFZURAX-UHFFFAOYSA-N
• XLogP: 5.69
• TPSA: 53.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	387.40
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 3-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]cyclopentane-1-carboxylic acid?

The IUPAC name of 3-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]cyclopentane-1-carboxylic acid (CID 175447345) is 3-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]cyclopentane-1-carboxylic acid.

What is the SMILES notation for 3-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]cyclopentane-1-carboxylic acid?

The canonical SMILES for 3-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]cyclopentane-1-carboxylic acid is O=C(O)C1CCC(CCc2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1.

What is the InChIKey of 3-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]cyclopentane-1-carboxylic acid?

The InChIKey is PZGSVKSWFZURAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3NO2/c23-15-6-4-13(5-7-15)20-17(8-2-12-1-3-14(9-12)22(27)28)18-10-16(24)11-19(25)21(18)26-20/h4-7,10-12,14,26H,1-3,8-9H2,(H,27,28).

What are the key properties of 3-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]cyclopentane-1-carboxylic acid?

3-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]cyclopentane-1-carboxylic acid has a molecular weight of 387.40 g/mol, XLogP of 5.69, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 175447345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).