2-(7-bromo-9H-fluoren-2-yl)-2-(bromomethyl)-1,3-dioxolane

C17H14Br2O2 — CID 141480734

IUPAC2-(7-bromo-9H-fluoren-2-yl)-2-(bromomethyl)-1,3-dioxolane
SMILESBrCC1(c2ccc3c(c2)Cc2cc(Br)ccc2-3)OCCO1
InChIInChI=1S/C17H14Br2O2/c18-10-17(20-5-6-21-17)13-1-3-15-11(8-13)7-12-9-14(19)2-4-16(12)15/h1-4,8-9H,5-7,10H2
InChIKeyHKGQAOFXXXDYHL-UHFFFAOYSA-N
MW410.11 g/mol
LogP4.61
Rot. Bonds2

About 2-(7-bromo-9H-fluoren-2-yl)-2-(bromomethyl)-1,3-dioxolane

2-(7-bromo-9H-fluoren-2-yl)-2-(bromomethyl)-1,3-dioxolane (PubChem CID 141480734) has the molecular formula C17H14Br2O2 and a molecular weight of 410.11 g/mol. Its IUPAC name is 2-(7-bromo-9H-fluoren-2-yl)-2-(bromomethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(7-bromo-9H-fluoren-2-yl)-2-(bromomethyl)-1,3-dioxolane
PubChem CID141480734
Molecular FormulaC17H14Br2O2
Molecular Weight410.11 g/mol
Exact Mass407.94
IUPAC Name2-(7-bromo-9H-fluoren-2-yl)-2-(bromomethyl)-1,3-dioxolane
SMILESBrCC1(c2ccc3c(c2)Cc2cc(Br)ccc2-3)OCCO1
InChIInChI=1S/C17H14Br2O2/c18-10-17(20-5-6-21-17)13-1-3-15-11(8-13)7-12-9-14(19)2-4-16(12)15/h1-4,8-9H,5-7,10H2
InChIKeyHKGQAOFXXXDYHL-UHFFFAOYSA-N
XLogP4.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.11
LogP ≤ 54.61
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-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
2-(9-Bromophenanthren-3-yl)-2-methyl-1,3-dioxolane
CID 134842225
5-Bromo-3-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
CID 134861496
(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
2-(4-Bromophenyl)-2-(p-tolyl)-1,3-dioxolane
CID 176472748
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

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-9H-fluoren-2-yl)-2-(bromomethyl)-1,3-dioxolane?
The IUPAC name of 2-(7-bromo-9H-fluoren-2-yl)-2-(bromomethyl)-1,3-dioxolane (CID 141480734) is 2-(7-bromo-9H-fluoren-2-yl)-2-(bromomethyl)-1,3-dioxolane.
What is the SMILES notation for 2-(7-bromo-9H-fluoren-2-yl)-2-(bromomethyl)-1,3-dioxolane?
The canonical SMILES for 2-(7-bromo-9H-fluoren-2-yl)-2-(bromomethyl)-1,3-dioxolane is BrCC1(c2ccc3c(c2)Cc2cc(Br)ccc2-3)OCCO1.
What is the InChIKey of 2-(7-bromo-9H-fluoren-2-yl)-2-(bromomethyl)-1,3-dioxolane?
The InChIKey is HKGQAOFXXXDYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Br2O2/c18-10-17(20-5-6-21-17)13-1-3-15-11(8-13)7-12-9-14(19)2-4-16(12)15/h1-4,8-9H,5-7,10H2.
What are the key properties of 2-(7-bromo-9H-fluoren-2-yl)-2-(bromomethyl)-1,3-dioxolane?
2-(7-bromo-9H-fluoren-2-yl)-2-(bromomethyl)-1,3-dioxolane has a molecular weight of 410.11 g/mol, XLogP of 4.61, 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-(bromomethyl)-1,3-dioxolane is sourced from PubChem (CID 141480734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).