2-(7-bromo-9,9-dimethylfluoren-2-yl)-1,3-dioxolane

C18H17BrO2 — CID 138708118

IUPAC2-(7-bromo-9,9-dimethylfluoren-2-yl)-1,3-dioxolane
SMILESCC1(C)c2cc(Br)ccc2-c2ccc(C3OCCO3)cc21
InChIInChI=1S/C18H17BrO2/c1-18(2)15-9-11(17-20-7-8-21-17)3-5-13(15)14-6-4-12(19)10-16(14)18/h3-6,9-10,17H,7-8H2,1-2H3
InChIKeyWBSVAZVNHIZKMP-UHFFFAOYSA-N
MW345.24 g/mol
LogP4.80
Rot. Bonds1

About 2-(7-bromo-9,9-dimethylfluoren-2-yl)-1,3-dioxolane

2-(7-bromo-9,9-dimethylfluoren-2-yl)-1,3-dioxolane (PubChem CID 138708118) has the molecular formula C18H17BrO2 and a molecular weight of 345.24 g/mol. Its IUPAC name is 2-(7-bromo-9,9-dimethylfluoren-2-yl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(7-bromo-9,9-dimethylfluoren-2-yl)-1,3-dioxolane
PubChem CID138708118
Molecular FormulaC18H17BrO2
Molecular Weight345.24 g/mol
Exact Mass344.04
IUPAC Name2-(7-bromo-9,9-dimethylfluoren-2-yl)-1,3-dioxolane
SMILESCC1(C)c2cc(Br)ccc2-c2ccc(C3OCCO3)cc21
InChIInChI=1S/C18H17BrO2/c1-18(2)15-9-11(17-20-7-8-21-17)3-5-13(15)14-6-4-12(19)10-16(14)18/h3-6,9-10,17H,7-8H2,1-2H3
InChIKeyWBSVAZVNHIZKMP-UHFFFAOYSA-N
XLogP4.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-Bromo-5-(tert-butyl)phenyl)-1,3-dioxolane
CID 23016156
2-(7-Bromo-9,9-difluorofluoren-2-yl)-2-methyl-1,3-dioxolane
CID 145082420
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
2-(7-Bromo-9,9-difluorofluoren-2-yl)-1,3-dioxolane
CID 171758092
2',7'-Dibromospiro[1,3-dioxolane-2,9'-fluorene]
CID 69294899
(2S)-2-(6-bromonaphthalen-2-yl)-4,4-dimethyl-1,3-dioxolane
CID 134947606
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-(6-Bromo-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-1,3-dioxolane
CID 102134728
6-Bromo-9,9-dimethoxy-2-(methoxymethyl)fluorene
CID 11792050
2-(4'-Bromo-[1,1'-biphenyl]-4-yl)-2-methyl-1,3-dioxolane
CID 13674110

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-9,9-dimethylfluoren-2-yl)-1,3-dioxolane?
The IUPAC name of 2-(7-bromo-9,9-dimethylfluoren-2-yl)-1,3-dioxolane (CID 138708118) is 2-(7-bromo-9,9-dimethylfluoren-2-yl)-1,3-dioxolane.
What is the SMILES notation for 2-(7-bromo-9,9-dimethylfluoren-2-yl)-1,3-dioxolane?
The canonical SMILES for 2-(7-bromo-9,9-dimethylfluoren-2-yl)-1,3-dioxolane is CC1(C)c2cc(Br)ccc2-c2ccc(C3OCCO3)cc21.
What is the InChIKey of 2-(7-bromo-9,9-dimethylfluoren-2-yl)-1,3-dioxolane?
The InChIKey is WBSVAZVNHIZKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrO2/c1-18(2)15-9-11(17-20-7-8-21-17)3-5-13(15)14-6-4-12(19)10-16(14)18/h3-6,9-10,17H,7-8H2,1-2H3.
What are the key properties of 2-(7-bromo-9,9-dimethylfluoren-2-yl)-1,3-dioxolane?
2-(7-bromo-9,9-dimethylfluoren-2-yl)-1,3-dioxolane has a molecular weight of 345.24 g/mol, XLogP of 4.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-9,9-dimethylfluoren-2-yl)-1,3-dioxolane is sourced from PubChem (CID 138708118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).