bis((2R)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid);bis((2S)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid)

C32H24Cl4F4O12 — CID 139124387

About bis((2R)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid);bis((2S)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid)

bis((2R)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid);bis((2S)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid) (PubChem CID 139124387) has the molecular formula C32H24Cl4F4O12 and a molecular weight of 818.34 g/mol. Its IUPAC name is bis((2R)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid);bis((2S)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid).

Molecular Properties

• Compound Name: bis((2R)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid);bis((2S)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid)
• PubChem CID: 139124387
• Molecular Formula: C32H24Cl4F4O12
• Molecular Weight: 818.34 g/mol
• Exact Mass: 816.00
• IUPAC Name: bis((2R)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid);bis((2S)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid)
• SMILES: O=C(O)[C@@H](O)c1ccc(Cl)cc1F.O=C(O)[C@@H](O)c1ccc(Cl)cc1F.O=C(O)[C@H](O)c1ccc(Cl)cc1F.O=C(O)[C@H](O)c1ccc(Cl)cc1F
• InChI: InChI=1S/4C8H6ClFO3/c4*9-4-1-2-5(6(10)3-4)7(11)8(12)13/h4*1-3,7,11H,(H,12,13)/t4*7-/m1100/s1
• InChIKey: ZGOGJFCSHFSLKA-HHPRCQOSSA-N
• XLogP: 6.39
• TPSA: 230.12 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	818.34
LogP ≤ 5	6.39
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of bis((2R)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid);bis((2S)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid)?

The IUPAC name of bis((2R)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid);bis((2S)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid) (CID 139124387) is bis((2R)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid);bis((2S)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid).

What is the SMILES notation for bis((2R)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid);bis((2S)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid)?

The canonical SMILES for bis((2R)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid);bis((2S)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid) is O=C(O)[C@@H](O)c1ccc(Cl)cc1F.O=C(O)[C@@H](O)c1ccc(Cl)cc1F.O=C(O)[C@H](O)c1ccc(Cl)cc1F.O=C(O)[C@H](O)c1ccc(Cl)cc1F.

What is the InChIKey of bis((2R)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid);bis((2S)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid)?

The InChIKey is ZGOGJFCSHFSLKA-HHPRCQOSSA-N. The full InChI is InChI=1S/4C8H6ClFO3/c4*9-4-1-2-5(6(10)3-4)7(11)8(12)13/h4*1-3,7,11H,(H,12,13)/t4*7-/m1100/s1.

What are the key properties of bis((2R)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid);bis((2S)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid)?

bis((2R)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid);bis((2S)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid) has a molecular weight of 818.34 g/mol, XLogP of 6.39, 8 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for bis((2R)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid);bis((2S)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid) is sourced from PubChem (CID 139124387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).