9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[5-hydroxy-2-(trifluoromethoxy)phenyl]propyl]carbamate

C25H22F3NO6 — CID 170835026

IUPAC9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[5-hydroxy-2-(trifluoromethoxy)phenyl]propyl]carbamate
SMILESO=C(NCC(O)C(O)c1cc(O)ccc1OC(F)(F)F)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H22F3NO6/c26-25(27,28)35-22-10-9-14(30)11-19(22)23(32)21(31)12-29-24(33)34-13-20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1-11,20-21,23,30-32H,12-13H2,(H,29,33)
InChIKeyIBENVYXMFRCAMA-UHFFFAOYSA-N
MW489.45 g/mol
LogP4.22
Rot. Bonds7

About 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[5-hydroxy-2-(trifluoromethoxy)phenyl]propyl]carbamate

9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[5-hydroxy-2-(trifluoromethoxy)phenyl]propyl]carbamate (PubChem CID 170835026) has the molecular formula C25H22F3NO6 and a molecular weight of 489.45 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[5-hydroxy-2-(trifluoromethoxy)phenyl]propyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[5-hydroxy-2-(trifluoromethoxy)phenyl]propyl]carbamate
PubChem CID170835026
Molecular FormulaC25H22F3NO6
Molecular Weight489.45 g/mol
Exact Mass489.14
IUPAC Name9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[5-hydroxy-2-(trifluoromethoxy)phenyl]propyl]carbamate
SMILESO=C(NCC(O)C(O)c1cc(O)ccc1OC(F)(F)F)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H22F3NO6/c26-25(27,28)35-22-10-9-14(30)11-19(22)23(32)21(31)12-29-24(33)34-13-20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1-11,20-21,23,30-32H,12-13H2,(H,29,33)
InChIKeyIBENVYXMFRCAMA-UHFFFAOYSA-N
XLogP4.22
TPSA108.25 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.45
LogP ≤ 54.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-(2-fluoro-5-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833767
9H-fluoren-9-ylmethyl N-[3-(3-tert-butyl-2-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170835429
9H-fluoren-9-ylmethyl N-[3-(2-fluoro-3-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833785
9H-fluoren-9-ylmethyl N-[3-(5-chloro-3-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170834129
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2-methylphenyl)propyl]carbamate
CID 170833599
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[5-(hydroxymethyl)-2-methoxyphenyl]propyl]carbamate
CID 170834464
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(6-hydroxynaphthalen-2-yl)propyl]carbamate
CID 170834917
9H-fluoren-9-ylmethyl N-(2,3-dihydroxy-3-naphthalen-1-ylpropyl)carbamate
CID 170834360
9H-fluoren-9-ylmethyl N-[3-(2-hydrazinylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833835
9H-fluoren-9-ylmethyl N-[3-(2,5-dichloro-3-fluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833989
9H-fluoren-9-ylmethyl N-[3-(3,5-dibromo-2-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170835406
9H-fluoren-9-ylmethyl N-[3-[2-bromo-5-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]carbamate
CID 170835428

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[5-hydroxy-2-(trifluoromethoxy)phenyl]propyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[5-hydroxy-2-(trifluoromethoxy)phenyl]propyl]carbamate (CID 170835026) is 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[5-hydroxy-2-(trifluoromethoxy)phenyl]propyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[5-hydroxy-2-(trifluoromethoxy)phenyl]propyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[5-hydroxy-2-(trifluoromethoxy)phenyl]propyl]carbamate is O=C(NCC(O)C(O)c1cc(O)ccc1OC(F)(F)F)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[5-hydroxy-2-(trifluoromethoxy)phenyl]propyl]carbamate?
The InChIKey is IBENVYXMFRCAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3NO6/c26-25(27,28)35-22-10-9-14(30)11-19(22)23(32)21(31)12-29-24(33)34-13-20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1-11,20-21,23,30-32H,12-13H2,(H,29,33).
What are the key properties of 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[5-hydroxy-2-(trifluoromethoxy)phenyl]propyl]carbamate?
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[5-hydroxy-2-(trifluoromethoxy)phenyl]propyl]carbamate has a molecular weight of 489.45 g/mol, XLogP of 4.22, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[5-hydroxy-2-(trifluoromethoxy)phenyl]propyl]carbamate is sourced from PubChem (CID 170835026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).