9H-fluoren-9-ylmethyl N-[3-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,3-dihydroxypropyl]carbamate

C25H21F2NO6 — CID 170834910

About 9H-fluoren-9-ylmethyl N-[3-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,3-dihydroxypropyl]carbamate

9H-fluoren-9-ylmethyl N-[3-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,3-dihydroxypropyl]carbamate (PubChem CID 170834910) has the molecular formula C25H21F2NO6 and a molecular weight of 469.44 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,3-dihydroxypropyl]carbamate.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl N-[3-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,3-dihydroxypropyl]carbamate
• PubChem CID: 170834910
• Molecular Formula: C25H21F2NO6
• Molecular Weight: 469.44 g/mol
• Exact Mass: 469.13
• IUPAC Name: 9H-fluoren-9-ylmethyl N-[3-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,3-dihydroxypropyl]carbamate
• SMILES: O=C(NCC(O)C(O)c1ccc2c(c1)OC(F)(F)O2)OCC1c2ccccc2-c2ccccc21
• InChI: InChI=1S/C25H21F2NO6/c26-25(27)33-21-10-9-14(11-22(21)34-25)23(30)20(29)12-28-24(31)32-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-11,19-20,23,29-30H,12-13H2,(H,28,31)
• InChIKey: URPLKFUNQOEMKL-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 97.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.44
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,3-dihydroxypropyl]carbamate?

The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,3-dihydroxypropyl]carbamate (CID 170834910) is 9H-fluoren-9-ylmethyl N-[3-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,3-dihydroxypropyl]carbamate.

What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,3-dihydroxypropyl]carbamate?

The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,3-dihydroxypropyl]carbamate is O=C(NCC(O)C(O)c1ccc2c(c1)OC(F)(F)O2)OCC1c2ccccc2-c2ccccc21.

What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,3-dihydroxypropyl]carbamate?

The InChIKey is URPLKFUNQOEMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2NO6/c26-25(27)33-21-10-9-14(11-22(21)34-25)23(30)20(29)12-28-24(31)32-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-11,19-20,23,29-30H,12-13H2,(H,28,31).

What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,3-dihydroxypropyl]carbamate?

9H-fluoren-9-ylmethyl N-[3-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,3-dihydroxypropyl]carbamate has a molecular weight of 469.44 g/mol, XLogP of 3.94, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-ylmethyl N-[3-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,3-dihydroxypropyl]carbamate is sourced from PubChem (CID 170834910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).