9H-fluoren-9-ylmethyl N-[1-(7-fluoro-1H-indol-3-yl)propan-2-yl]carbamate;formic acid

C27H25FN2O4 — CID 168915643

About 9H-fluoren-9-ylmethyl N-[1-(7-fluoro-1H-indol-3-yl)propan-2-yl]carbamate;formic acid

9H-fluoren-9-ylmethyl N-[1-(7-fluoro-1H-indol-3-yl)propan-2-yl]carbamate;formic acid (PubChem CID 168915643) has the molecular formula C27H25FN2O4 and a molecular weight of 460.51 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[1-(7-fluoro-1H-indol-3-yl)propan-2-yl]carbamate;formic acid.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl N-[1-(7-fluoro-1H-indol-3-yl)propan-2-yl]carbamate;formic acid
• PubChem CID: 168915643
• Molecular Formula: C27H25FN2O4
• Molecular Weight: 460.51 g/mol
• Exact Mass: 460.18
• IUPAC Name: 9H-fluoren-9-ylmethyl N-[1-(7-fluoro-1H-indol-3-yl)propan-2-yl]carbamate;formic acid
• SMILES: CC(Cc1c[nH]c2c(F)cccc12)NC(=O)OCC1c2ccccc2-c2ccccc21.O=CO
• InChI: InChI=1S/C26H23FN2O2.CH2O2/c1-16(13-17-14-28-25-18(17)11-6-12-24(25)27)29-26(30)31-15-23-21-9-4-2-7-19(21)20-8-3-5-10-22(20)23;2-1-3/h2-12,14,16,23,28H,13,15H2,1H3,(H,29,30);1H,(H,2,3)
• InChIKey: ZMMZUAIOBQQGMJ-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 91.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.51
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[1-(7-fluoro-1H-indol-3-yl)propan-2-yl]carbamate;formic acid?

The IUPAC name of 9H-fluoren-9-ylmethyl N-[1-(7-fluoro-1H-indol-3-yl)propan-2-yl]carbamate;formic acid (CID 168915643) is 9H-fluoren-9-ylmethyl N-[1-(7-fluoro-1H-indol-3-yl)propan-2-yl]carbamate;formic acid.

What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[1-(7-fluoro-1H-indol-3-yl)propan-2-yl]carbamate;formic acid?

The canonical SMILES for 9H-fluoren-9-ylmethyl N-[1-(7-fluoro-1H-indol-3-yl)propan-2-yl]carbamate;formic acid is CC(Cc1c[nH]c2c(F)cccc12)NC(=O)OCC1c2ccccc2-c2ccccc21.O=CO.

What is the InChIKey of 9H-fluoren-9-ylmethyl N-[1-(7-fluoro-1H-indol-3-yl)propan-2-yl]carbamate;formic acid?

The InChIKey is ZMMZUAIOBQQGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2O2.CH2O2/c1-16(13-17-14-28-25-18(17)11-6-12-24(25)27)29-26(30)31-15-23-21-9-4-2-7-19(21)20-8-3-5-10-22(20)23;2-1-3/h2-12,14,16,23,28H,13,15H2,1H3,(H,29,30);1H,(H,2,3).

What are the key properties of 9H-fluoren-9-ylmethyl N-[1-(7-fluoro-1H-indol-3-yl)propan-2-yl]carbamate;formic acid?

9H-fluoren-9-ylmethyl N-[1-(7-fluoro-1H-indol-3-yl)propan-2-yl]carbamate;formic acid has a molecular weight of 460.51 g/mol, XLogP of 5.48, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-ylmethyl N-[1-(7-fluoro-1H-indol-3-yl)propan-2-yl]carbamate;formic acid is sourced from PubChem (CID 168915643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).