2-(7-bromo-9H-fluoren-2-yl)-2-(chloromethyl)-5,5-dimethyl-1,3-dioxane

C20H20BrClO2 — CID 145082427

IUPAC2-(7-bromo-9H-fluoren-2-yl)-2-(chloromethyl)-5,5-dimethyl-1,3-dioxane
SMILESCC1(C)COC(CCl)(c2ccc3c(c2)Cc2cc(Br)ccc2-3)OC1
InChIInChI=1S/C20H20BrClO2/c1-19(2)11-23-20(10-22,24-12-19)15-3-5-17-13(8-15)7-14-9-16(21)4-6-18(14)17/h3-6,8-9H,7,10-12H2,1-2H3
InChIKeyJPYDYTKTIHFJPB-UHFFFAOYSA-N
MW407.74 g/mol
LogP5.48
Rot. Bonds2

About 2-(7-bromo-9H-fluoren-2-yl)-2-(chloromethyl)-5,5-dimethyl-1,3-dioxane

2-(7-bromo-9H-fluoren-2-yl)-2-(chloromethyl)-5,5-dimethyl-1,3-dioxane (PubChem CID 145082427) has the molecular formula C20H20BrClO2 and a molecular weight of 407.74 g/mol. Its IUPAC name is 2-(7-bromo-9H-fluoren-2-yl)-2-(chloromethyl)-5,5-dimethyl-1,3-dioxane.

Molecular Properties

Compound Name2-(7-bromo-9H-fluoren-2-yl)-2-(chloromethyl)-5,5-dimethyl-1,3-dioxane
PubChem CID145082427
Molecular FormulaC20H20BrClO2
Molecular Weight407.74 g/mol
Exact Mass406.03
IUPAC Name2-(7-bromo-9H-fluoren-2-yl)-2-(chloromethyl)-5,5-dimethyl-1,3-dioxane
SMILESCC1(C)COC(CCl)(c2ccc3c(c2)Cc2cc(Br)ccc2-3)OC1
InChIInChI=1S/C20H20BrClO2/c1-19(2)11-23-20(10-22,24-12-19)15-3-5-17-13(8-15)7-14-9-16(21)4-6-18(14)17/h3-6,8-9H,7,10-12H2,1-2H3
InChIKeyJPYDYTKTIHFJPB-UHFFFAOYSA-N
XLogP5.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.74
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(7-Bromo-9,9-difluorofluoren-2-yl)-2-(chloromethyl)-5,5-dimethyl-1,3-dioxane
CID 145082417
2-(7-Bromo-9,9-difluorofluoren-2-yl)-2-(chloromethyl)-1,3-dioxolane
CID 145082421
2-(7-Bromo-9,9-difluorofluoren-2-yl)-2,5,5-trimethyl-1,3-dioxane
CID 145082424
6-Bromo-9,9-dimethoxy-2-(methoxymethyl)fluorene
CID 11792050
2-(4-Bromophenyl)-2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxane
CID 57679634
2-Bromo-7-(1-ethoxyethenyl)-9,9-dimethylfluorene
CID 89405754
2-[7-Bromo-9,9-bis(4-methylphenyl)fluoren-4-yl]-5,5-dimethyl-1,3-dioxane
CID 91167181
2-(7-Bromo-9,9-dimethylfluoren-2-yl)-1,3-dioxolane
CID 138708118
3-Bromo-9,9-diethoxyfluorene
CID 139601404
2-bromo-7-(2-chloro-1,1-dimethoxyethyl)-9H-fluorene
CID 141480735
2-Bromo-7-[(4-ethenylphenyl)methoxymethyl]-9,9-dimethylfluorene
CID 142742542
2-(7-bromo-9H-fluoren-2-yl)-2,5,5-trimethyl-1,3-dioxane
CID 145082418

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-9H-fluoren-2-yl)-2-(chloromethyl)-5,5-dimethyl-1,3-dioxane?
The IUPAC name of 2-(7-bromo-9H-fluoren-2-yl)-2-(chloromethyl)-5,5-dimethyl-1,3-dioxane (CID 145082427) is 2-(7-bromo-9H-fluoren-2-yl)-2-(chloromethyl)-5,5-dimethyl-1,3-dioxane.
What is the SMILES notation for 2-(7-bromo-9H-fluoren-2-yl)-2-(chloromethyl)-5,5-dimethyl-1,3-dioxane?
The canonical SMILES for 2-(7-bromo-9H-fluoren-2-yl)-2-(chloromethyl)-5,5-dimethyl-1,3-dioxane is CC1(C)COC(CCl)(c2ccc3c(c2)Cc2cc(Br)ccc2-3)OC1.
What is the InChIKey of 2-(7-bromo-9H-fluoren-2-yl)-2-(chloromethyl)-5,5-dimethyl-1,3-dioxane?
The InChIKey is JPYDYTKTIHFJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrClO2/c1-19(2)11-23-20(10-22,24-12-19)15-3-5-17-13(8-15)7-14-9-16(21)4-6-18(14)17/h3-6,8-9H,7,10-12H2,1-2H3.
What are the key properties of 2-(7-bromo-9H-fluoren-2-yl)-2-(chloromethyl)-5,5-dimethyl-1,3-dioxane?
2-(7-bromo-9H-fluoren-2-yl)-2-(chloromethyl)-5,5-dimethyl-1,3-dioxane has a molecular weight of 407.74 g/mol, XLogP of 5.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-9H-fluoren-2-yl)-2-(chloromethyl)-5,5-dimethyl-1,3-dioxane is sourced from PubChem (CID 145082427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).