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

C21H23BrO2 — CID 145082422

IUPAC2-(7-bromo-9H-fluoren-2-yl)-2-ethyl-5,5-dimethyl-1,3-dioxane
SMILESCCC1(c2ccc3c(c2)Cc2cc(Br)ccc2-3)OCC(C)(C)CO1
InChIInChI=1S/C21H23BrO2/c1-4-21(23-12-20(2,3)13-24-21)16-5-7-18-14(10-16)9-15-11-17(22)6-8-19(15)18/h5-8,10-11H,4,9,12-13H2,1-3H3
InChIKeyNLRKUMYRAQEOGU-UHFFFAOYSA-N
MW387.32 g/mol
LogP5.66
Rot. Bonds2

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

2-(7-bromo-9H-fluoren-2-yl)-2-ethyl-5,5-dimethyl-1,3-dioxane (PubChem CID 145082422) has the molecular formula C21H23BrO2 and a molecular weight of 387.32 g/mol. Its IUPAC name is 2-(7-bromo-9H-fluoren-2-yl)-2-ethyl-5,5-dimethyl-1,3-dioxane.

Molecular Properties

Compound Name2-(7-bromo-9H-fluoren-2-yl)-2-ethyl-5,5-dimethyl-1,3-dioxane
PubChem CID145082422
Molecular FormulaC21H23BrO2
Molecular Weight387.32 g/mol
Exact Mass386.09
IUPAC Name2-(7-bromo-9H-fluoren-2-yl)-2-ethyl-5,5-dimethyl-1,3-dioxane
SMILESCCC1(c2ccc3c(c2)Cc2cc(Br)ccc2-3)OCC(C)(C)CO1
InChIInChI=1S/C21H23BrO2/c1-4-21(23-12-20(2,3)13-24-21)16-5-7-18-14(10-16)9-15-11-17(22)6-8-19(15)18/h5-8,10-11H,4,9,12-13H2,1-3H3
InChIKeyNLRKUMYRAQEOGU-UHFFFAOYSA-N
XLogP5.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.32
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(7-bromo-9H-fluoren-2-yl)-2-ethyl-5,5-dimethyl-1,3-dioxane with MolForge

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Related Compounds

2-(4-Bromophenyl)-5,5-dimethyl-2-phenyl-1,3-dioxane
CID 121332457
2-[4-(6-bromo-1H-inden-2-yl)-3-fluorophenyl]-1,3-dioxane
CID 67575726
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-methyl-1,3-dioxolane
CID 145082420
2-(7-Bromo-9,9-difluorofluoren-2-yl)-2,5,5-trimethyl-1,3-dioxane
CID 145082424
2-(7-Bromo-9,9-difluorofluoren-2-yl)-1,3-dioxolane
CID 171758092
1-Bromo-2,5-dioctyl-4-(5,5-dimethyl-1,3-dioxan-2-yl)benzene
CID 129721213
2-[4-Bromo-2,6-bis(2,4,6-trimethylphenyl)phenyl]-1,3-dioxolane
CID 139040432
Spiro[4H-cyclopenta[def]phenanthrene-4,2'-[1,3]dioxolane], 8-bromo-
CID 629870
2-[[5-Bromo-2-(2,5-dihexyl-4-iodophenyl)phenyl]methoxy]oxane
CID 15339733
2-(Bromomethyl)-2-(4-bromophenyl)-5-methyl-5-phenyl-1,3-dioxane
CID 17365698
6-Bromo-9,9-dimethoxy-2-(methoxymethyl)fluorene
CID 11792050

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-9H-fluoren-2-yl)-2-ethyl-5,5-dimethyl-1,3-dioxane?
The IUPAC name of 2-(7-bromo-9H-fluoren-2-yl)-2-ethyl-5,5-dimethyl-1,3-dioxane (CID 145082422) is 2-(7-bromo-9H-fluoren-2-yl)-2-ethyl-5,5-dimethyl-1,3-dioxane.
What is the SMILES notation for 2-(7-bromo-9H-fluoren-2-yl)-2-ethyl-5,5-dimethyl-1,3-dioxane?
The canonical SMILES for 2-(7-bromo-9H-fluoren-2-yl)-2-ethyl-5,5-dimethyl-1,3-dioxane is CCC1(c2ccc3c(c2)Cc2cc(Br)ccc2-3)OCC(C)(C)CO1.
What is the InChIKey of 2-(7-bromo-9H-fluoren-2-yl)-2-ethyl-5,5-dimethyl-1,3-dioxane?
The InChIKey is NLRKUMYRAQEOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrO2/c1-4-21(23-12-20(2,3)13-24-21)16-5-7-18-14(10-16)9-15-11-17(22)6-8-19(15)18/h5-8,10-11H,4,9,12-13H2,1-3H3.
What are the key properties of 2-(7-bromo-9H-fluoren-2-yl)-2-ethyl-5,5-dimethyl-1,3-dioxane?
2-(7-bromo-9H-fluoren-2-yl)-2-ethyl-5,5-dimethyl-1,3-dioxane has a molecular weight of 387.32 g/mol, XLogP of 5.66, 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-ethyl-5,5-dimethyl-1,3-dioxane is sourced from PubChem (CID 145082422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).