9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propyl]carbamate

C24H21F3N2O5 — CID 170834869

About 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propyl]carbamate

9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propyl]carbamate (PubChem CID 170834869) has the molecular formula C24H21F3N2O5 and a molecular weight of 474.44 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propyl]carbamate.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propyl]carbamate
• PubChem CID: 170834869
• Molecular Formula: C24H21F3N2O5
• Molecular Weight: 474.44 g/mol
• Exact Mass: 474.14
• IUPAC Name: 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propyl]carbamate
• SMILES: O=C(NCC(O)C(O)c1cc(C(F)(F)F)c[nH]c1=O)OCC1c2ccccc2-c2ccccc21
• InChI: InChI=1S/C24H21F3N2O5/c25-24(26,27)13-9-18(22(32)28-10-13)21(31)20(30)11-29-23(33)34-12-19-16-7-3-1-5-14(16)15-6-2-4-8-17(15)19/h1-10,19-21,30-31H,11-12H2,(H,28,32)(H,29,33)
• InChIKey: POYONXTVTUZJDP-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 111.65 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.44
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propyl]carbamate?

The IUPAC name of 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propyl]carbamate (CID 170834869) is 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propyl]carbamate.

What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propyl]carbamate?

The canonical SMILES for 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propyl]carbamate is O=C(NCC(O)C(O)c1cc(C(F)(F)F)c[nH]c1=O)OCC1c2ccccc2-c2ccccc21.

What is the InChIKey of 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propyl]carbamate?

The InChIKey is POYONXTVTUZJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N2O5/c25-24(26,27)13-9-18(22(32)28-10-13)21(31)20(30)11-29-23(33)34-12-19-16-7-3-1-5-14(16)15-6-2-4-8-17(15)19/h1-10,19-21,30-31H,11-12H2,(H,28,32)(H,29,33).

What are the key properties of 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propyl]carbamate?

9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propyl]carbamate has a molecular weight of 474.44 g/mol, XLogP of 3.33, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propyl]carbamate is sourced from PubChem (CID 170834869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).