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

C20H21BrO2 — CID 145082418

IUPAC2-(7-bromo-9H-fluoren-2-yl)-2,5,5-trimethyl-1,3-dioxane
SMILESCC1(C)COC(C)(c2ccc3c(c2)Cc2cc(Br)ccc2-3)OC1
InChIInChI=1S/C20H21BrO2/c1-19(2)11-22-20(3,23-12-19)15-4-6-17-13(9-15)8-14-10-16(21)5-7-18(14)17/h4-7,9-10H,8,11-12H2,1-3H3
InChIKeyFURIQRLVOQSATG-UHFFFAOYSA-N
MW373.29 g/mol
LogP5.27
Rot. Bonds1

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

2-(7-bromo-9H-fluoren-2-yl)-2,5,5-trimethyl-1,3-dioxane (PubChem CID 145082418) has the molecular formula C20H21BrO2 and a molecular weight of 373.29 g/mol. Its IUPAC name is 2-(7-bromo-9H-fluoren-2-yl)-2,5,5-trimethyl-1,3-dioxane.

Molecular Properties

Compound Name2-(7-bromo-9H-fluoren-2-yl)-2,5,5-trimethyl-1,3-dioxane
PubChem CID145082418
Molecular FormulaC20H21BrO2
Molecular Weight373.29 g/mol
Exact Mass372.07
IUPAC Name2-(7-bromo-9H-fluoren-2-yl)-2,5,5-trimethyl-1,3-dioxane
SMILESCC1(C)COC(C)(c2ccc3c(c2)Cc2cc(Br)ccc2-3)OC1
InChIInChI=1S/C20H21BrO2/c1-19(2)11-22-20(3,23-12-19)15-4-6-17-13(9-15)8-14-10-16(21)5-7-18(14)17/h4-7,9-10H,8,11-12H2,1-3H3
InChIKeyFURIQRLVOQSATG-UHFFFAOYSA-N
XLogP5.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.29
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(7-bromo-9H-fluoren-2-yl)-2,5,5-trimethyl-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)-2,5,5-trimethyl-1,3-dioxane?
The IUPAC name of 2-(7-bromo-9H-fluoren-2-yl)-2,5,5-trimethyl-1,3-dioxane (CID 145082418) is 2-(7-bromo-9H-fluoren-2-yl)-2,5,5-trimethyl-1,3-dioxane.
What is the SMILES notation for 2-(7-bromo-9H-fluoren-2-yl)-2,5,5-trimethyl-1,3-dioxane?
The canonical SMILES for 2-(7-bromo-9H-fluoren-2-yl)-2,5,5-trimethyl-1,3-dioxane is CC1(C)COC(C)(c2ccc3c(c2)Cc2cc(Br)ccc2-3)OC1.
What is the InChIKey of 2-(7-bromo-9H-fluoren-2-yl)-2,5,5-trimethyl-1,3-dioxane?
The InChIKey is FURIQRLVOQSATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrO2/c1-19(2)11-22-20(3,23-12-19)15-4-6-17-13(9-15)8-14-10-16(21)5-7-18(14)17/h4-7,9-10H,8,11-12H2,1-3H3.
What are the key properties of 2-(7-bromo-9H-fluoren-2-yl)-2,5,5-trimethyl-1,3-dioxane?
2-(7-bromo-9H-fluoren-2-yl)-2,5,5-trimethyl-1,3-dioxane has a molecular weight of 373.29 g/mol, XLogP of 5.27, 1 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)-2,5,5-trimethyl-1,3-dioxane is sourced from PubChem (CID 145082418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).