9H-fluoren-9-ylmethyl N-[3-(2,4-dibromo-6-fluorophenyl)-2,3-dihydroxypropyl]carbamate

C24H20Br2FNO4 — CID 170835289

About 9H-fluoren-9-ylmethyl N-[3-(2,4-dibromo-6-fluorophenyl)-2,3-dihydroxypropyl]carbamate

9H-fluoren-9-ylmethyl N-[3-(2,4-dibromo-6-fluorophenyl)-2,3-dihydroxypropyl]carbamate (PubChem CID 170835289) has the molecular formula C24H20Br2FNO4 and a molecular weight of 565.23 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(2,4-dibromo-6-fluorophenyl)-2,3-dihydroxypropyl]carbamate.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl N-[3-(2,4-dibromo-6-fluorophenyl)-2,3-dihydroxypropyl]carbamate
• PubChem CID: 170835289
• Molecular Formula: C24H20Br2FNO4
• Molecular Weight: 565.23 g/mol
• Exact Mass: 562.97
• IUPAC Name: 9H-fluoren-9-ylmethyl N-[3-(2,4-dibromo-6-fluorophenyl)-2,3-dihydroxypropyl]carbamate
• SMILES: O=C(NCC(O)C(O)c1c(F)cc(Br)cc1Br)OCC1c2ccccc2-c2ccccc21
• InChI: InChI=1S/C24H20Br2FNO4/c25-13-9-19(26)22(20(27)10-13)23(30)21(29)11-28-24(31)32-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-10,18,21,23,29-30H,11-12H2,(H,28,31)
• InChIKey: GWIKXNMSSPVRII-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 78.79 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	565.23
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(2,4-dibromo-6-fluorophenyl)-2,3-dihydroxypropyl]carbamate?

The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(2,4-dibromo-6-fluorophenyl)-2,3-dihydroxypropyl]carbamate (CID 170835289) is 9H-fluoren-9-ylmethyl N-[3-(2,4-dibromo-6-fluorophenyl)-2,3-dihydroxypropyl]carbamate.

What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(2,4-dibromo-6-fluorophenyl)-2,3-dihydroxypropyl]carbamate?

The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(2,4-dibromo-6-fluorophenyl)-2,3-dihydroxypropyl]carbamate is O=C(NCC(O)C(O)c1c(F)cc(Br)cc1Br)OCC1c2ccccc2-c2ccccc21.

What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(2,4-dibromo-6-fluorophenyl)-2,3-dihydroxypropyl]carbamate?

The InChIKey is GWIKXNMSSPVRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Br2FNO4/c25-13-9-19(26)22(20(27)10-13)23(30)21(29)11-28-24(31)32-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-10,18,21,23,29-30H,11-12H2,(H,28,31).

What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(2,4-dibromo-6-fluorophenyl)-2,3-dihydroxypropyl]carbamate?

9H-fluoren-9-ylmethyl N-[3-(2,4-dibromo-6-fluorophenyl)-2,3-dihydroxypropyl]carbamate has a molecular weight of 565.23 g/mol, XLogP of 5.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-ylmethyl N-[3-(2,4-dibromo-6-fluorophenyl)-2,3-dihydroxypropyl]carbamate is sourced from PubChem (CID 170835289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).