1-bromo-4-fluoro-2-(trityloxymethyl)benzene

C26H20BrFO — CID 142578609

IUPAC1-bromo-4-fluoro-2-(trityloxymethyl)benzene
SMILESFc1ccc(Br)c(COC(c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C26H20BrFO/c27-25-17-16-24(28)18-20(25)19-29-26(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-18H,19H2
InChIKeyACDNAIQNMBCFDM-UHFFFAOYSA-N
MW447.35 g/mol
LogP7.10
Rot. Bonds6

About 1-bromo-4-fluoro-2-(trityloxymethyl)benzene

1-bromo-4-fluoro-2-(trityloxymethyl)benzene (PubChem CID 142578609) has the molecular formula C26H20BrFO and a molecular weight of 447.35 g/mol. Its IUPAC name is 1-bromo-4-fluoro-2-(trityloxymethyl)benzene.

Molecular Properties

Compound Name1-bromo-4-fluoro-2-(trityloxymethyl)benzene
PubChem CID142578609
Molecular FormulaC26H20BrFO
Molecular Weight447.35 g/mol
Exact Mass446.07
IUPAC Name1-bromo-4-fluoro-2-(trityloxymethyl)benzene
SMILESFc1ccc(Br)c(COC(c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C26H20BrFO/c27-25-17-16-24(28)18-20(25)19-29-26(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-18H,19H2
InChIKeyACDNAIQNMBCFDM-UHFFFAOYSA-N
XLogP7.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.35
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-Bromo-5-fluorobenzyl alcohol, tert.-butyl ether
CID 91730098
Benzyl trityl ether
CID 220137
1,1',1''-[(2-Phenylethoxy)methanetriyl]tribenzene
CID 348613
[4-Fluorobutoxy(diphenyl)methyl]benzene
CID 135012512
((3-Bromopropoxy)methanetriyl)tribenzene
CID 10385165
Bis[[1-(4-bromophenyl)-1-phenyl]methyl]ether
CID 129855011
2-(4,4-Diphenylbuta-2,3-dienyl)-2-(4-fluorophenyl)oxane
CID 101495994
2-Bromo-4,4'-difluorobenzhydryl methyl ether
CID 12319473
1-Bromo-2-[(4-fluorophenyl)-methoxymethyl]benzene
CID 12319480
2-(4-Fluorophenyl)-2-(4-bromophenyl)-oxirane
CID 14518743
1-Fluoro-4-[[(4-fluorophenyl)-phenylmethoxy]-phenylmethyl]benzene
CID 15555310
1-Benzyl-3-[[2-(2-bromophenyl)-3,3,3-trifluoropropoxy]methyl]benzene
CID 20036646

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-fluoro-2-(trityloxymethyl)benzene?
The IUPAC name of 1-bromo-4-fluoro-2-(trityloxymethyl)benzene (CID 142578609) is 1-bromo-4-fluoro-2-(trityloxymethyl)benzene.
What is the SMILES notation for 1-bromo-4-fluoro-2-(trityloxymethyl)benzene?
The canonical SMILES for 1-bromo-4-fluoro-2-(trityloxymethyl)benzene is Fc1ccc(Br)c(COC(c2ccccc2)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 1-bromo-4-fluoro-2-(trityloxymethyl)benzene?
The InChIKey is ACDNAIQNMBCFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20BrFO/c27-25-17-16-24(28)18-20(25)19-29-26(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-18H,19H2.
What are the key properties of 1-bromo-4-fluoro-2-(trityloxymethyl)benzene?
1-bromo-4-fluoro-2-(trityloxymethyl)benzene has a molecular weight of 447.35 g/mol, XLogP of 7.10, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-fluoro-2-(trityloxymethyl)benzene is sourced from PubChem (CID 142578609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).