2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[2-fluoro-3-(trifluoromethoxy)phenyl]acetic acid

C24H17F4NO5 — CID 172569446

About 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[2-fluoro-3-(trifluoromethoxy)phenyl]acetic acid

2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[2-fluoro-3-(trifluoromethoxy)phenyl]acetic acid (PubChem CID 172569446) has the molecular formula C24H17F4NO5 and a molecular weight of 475.39 g/mol. Its IUPAC name is 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[2-fluoro-3-(trifluoromethoxy)phenyl]acetic acid.

Molecular Properties

• Compound Name: 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[2-fluoro-3-(trifluoromethoxy)phenyl]acetic acid
• PubChem CID: 172569446
• Molecular Formula: C24H17F4NO5
• Molecular Weight: 475.39 g/mol
• Exact Mass: 475.10
• IUPAC Name: 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[2-fluoro-3-(trifluoromethoxy)phenyl]acetic acid
• SMILES: O=C(NC(C(=O)O)c1cccc(OC(F)(F)F)c1F)OCC1c2ccccc2-c2ccccc21
• InChI: InChI=1S/C24H17F4NO5/c25-20-17(10-5-11-19(20)34-24(26,27)28)21(22(30)31)29-23(32)33-12-18-15-8-3-1-6-13(15)14-7-2-4-9-16(14)18/h1-11,18,21H,12H2,(H,29,32)(H,30,31)
• InChIKey: ZLZJONOKRUZTFR-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 84.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.39
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[2-fluoro-3-(trifluoromethoxy)phenyl]acetic acid?

The IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[2-fluoro-3-(trifluoromethoxy)phenyl]acetic acid (CID 172569446) is 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[2-fluoro-3-(trifluoromethoxy)phenyl]acetic acid.

What is the SMILES notation for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[2-fluoro-3-(trifluoromethoxy)phenyl]acetic acid?

The canonical SMILES for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[2-fluoro-3-(trifluoromethoxy)phenyl]acetic acid is O=C(NC(C(=O)O)c1cccc(OC(F)(F)F)c1F)OCC1c2ccccc2-c2ccccc21.

What is the InChIKey of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[2-fluoro-3-(trifluoromethoxy)phenyl]acetic acid?

The InChIKey is ZLZJONOKRUZTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F4NO5/c25-20-17(10-5-11-19(20)34-24(26,27)28)21(22(30)31)29-23(32)33-12-18-15-8-3-1-6-13(15)14-7-2-4-9-16(14)18/h1-11,18,21H,12H2,(H,29,32)(H,30,31).

What are the key properties of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[2-fluoro-3-(trifluoromethoxy)phenyl]acetic acid?

2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[2-fluoro-3-(trifluoromethoxy)phenyl]acetic acid has a molecular weight of 475.39 g/mol, XLogP of 5.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[2-fluoro-3-(trifluoromethoxy)phenyl]acetic acid is sourced from PubChem (CID 172569446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).