9H-fluoren-9-ylmethyl N-[3-[2-fluoro-4-(methoxymethoxy)phenyl]-2,3-dihydroxypropyl]carbamate

C26H26FNO6 — CID 170834709

IUPAC9H-fluoren-9-ylmethyl N-[3-[2-fluoro-4-(methoxymethoxy)phenyl]-2,3-dihydroxypropyl]carbamate
SMILESCOCOc1ccc(C(O)C(O)CNC(=O)OCC2c3ccccc3-c3ccccc32)c(F)c1
InChIInChI=1S/C26H26FNO6/c1-32-15-34-16-10-11-21(23(27)12-16)25(30)24(29)13-28-26(31)33-14-22-19-8-4-2-6-17(19)18-7-3-5-9-20(18)22/h2-12,22,24-25,29-30H,13-15H2,1H3,(H,28,31)
InChIKeyCFCCGYFBILPCCI-UHFFFAOYSA-N
MW467.49 g/mol
LogP3.74
Rot. Bonds9

About 9H-fluoren-9-ylmethyl N-[3-[2-fluoro-4-(methoxymethoxy)phenyl]-2,3-dihydroxypropyl]carbamate

9H-fluoren-9-ylmethyl N-[3-[2-fluoro-4-(methoxymethoxy)phenyl]-2,3-dihydroxypropyl]carbamate (PubChem CID 170834709) has the molecular formula C26H26FNO6 and a molecular weight of 467.49 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-[2-fluoro-4-(methoxymethoxy)phenyl]-2,3-dihydroxypropyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-[2-fluoro-4-(methoxymethoxy)phenyl]-2,3-dihydroxypropyl]carbamate
PubChem CID170834709
Molecular FormulaC26H26FNO6
Molecular Weight467.49 g/mol
Exact Mass467.17
IUPAC Name9H-fluoren-9-ylmethyl N-[3-[2-fluoro-4-(methoxymethoxy)phenyl]-2,3-dihydroxypropyl]carbamate
SMILESCOCOc1ccc(C(O)C(O)CNC(=O)OCC2c3ccccc3-c3ccccc32)c(F)c1
InChIInChI=1S/C26H26FNO6/c1-32-15-34-16-10-11-21(23(27)12-16)25(30)24(29)13-28-26(31)33-14-22-19-8-4-2-6-17(19)18-7-3-5-9-20(18)22/h2-12,22,24-25,29-30H,13-15H2,1H3,(H,28,31)
InChIKeyCFCCGYFBILPCCI-UHFFFAOYSA-N
XLogP3.74
TPSA97.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.49
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

9H-fluoren-9-ylmethyl N-[4-[2-fluoro-4-(methoxymethoxy)phenyl]-3,4-dihydroxybutyl]carbamate
CID 171887169
9H-fluoren-9-ylmethyl N-[3-(4-fluoro-2-methylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833702
tert-butyl N-[3-[2-fluoro-4-(methoxymethoxy)phenyl]-2,3-dihydroxypropyl]carbamate
CID 170832651
methyl 3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-4-fluorobenzoate
CID 170834723
9H-fluoren-9-ylmethyl N-[3-(2-fluoro-5-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833767
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2-hydroxy-4-phenylmethoxyphenyl)propyl]carbamate
CID 170835359
9H-fluoren-9-ylmethyl N-[3-(4-chloro-2-methoxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170834066
9H-fluoren-9-ylmethyl N-[3-(4-cyano-2,5-difluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170834593
9H-fluoren-9-ylmethyl N-[3-(3-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 170833655
9H-fluoren-9-ylmethyl N-[3-(2,5-dichloro-3-fluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833989
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2-methylphenyl)propyl]carbamate
CID 170833599
4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-3-methoxybenzoic acid
CID 170834777

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-[2-fluoro-4-(methoxymethoxy)phenyl]-2,3-dihydroxypropyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-[2-fluoro-4-(methoxymethoxy)phenyl]-2,3-dihydroxypropyl]carbamate (CID 170834709) is 9H-fluoren-9-ylmethyl N-[3-[2-fluoro-4-(methoxymethoxy)phenyl]-2,3-dihydroxypropyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-[2-fluoro-4-(methoxymethoxy)phenyl]-2,3-dihydroxypropyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-[2-fluoro-4-(methoxymethoxy)phenyl]-2,3-dihydroxypropyl]carbamate is COCOc1ccc(C(O)C(O)CNC(=O)OCC2c3ccccc3-c3ccccc32)c(F)c1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-[2-fluoro-4-(methoxymethoxy)phenyl]-2,3-dihydroxypropyl]carbamate?
The InChIKey is CFCCGYFBILPCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FNO6/c1-32-15-34-16-10-11-21(23(27)12-16)25(30)24(29)13-28-26(31)33-14-22-19-8-4-2-6-17(19)18-7-3-5-9-20(18)22/h2-12,22,24-25,29-30H,13-15H2,1H3,(H,28,31).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-[2-fluoro-4-(methoxymethoxy)phenyl]-2,3-dihydroxypropyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-[2-fluoro-4-(methoxymethoxy)phenyl]-2,3-dihydroxypropyl]carbamate has a molecular weight of 467.49 g/mol, XLogP of 3.74, 9 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-fluoro-4-(methoxymethoxy)phenyl]-2,3-dihydroxypropyl]carbamate is sourced from PubChem (CID 170834709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).