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

C17H15BrO2 — CID 145082434

IUPAC2-(7-bromo-9H-fluoren-2-yl)-2-methyl-1,3-dioxolane
SMILESCC1(c2ccc3c(c2)Cc2cc(Br)ccc2-3)OCCO1
InChIInChI=1S/C17H15BrO2/c1-17(19-6-7-20-17)13-2-4-15-11(9-13)8-12-10-14(18)3-5-16(12)15/h2-5,9-10H,6-8H2,1H3
InChIKeyHRMQWWBFESDSIM-UHFFFAOYSA-N
MW331.21 g/mol
LogP4.24
Rot. Bonds1

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

2-(7-bromo-9H-fluoren-2-yl)-2-methyl-1,3-dioxolane (PubChem CID 145082434) has the molecular formula C17H15BrO2 and a molecular weight of 331.21 g/mol. Its IUPAC name is 2-(7-bromo-9H-fluoren-2-yl)-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(7-bromo-9H-fluoren-2-yl)-2-methyl-1,3-dioxolane
PubChem CID145082434
Molecular FormulaC17H15BrO2
Molecular Weight331.21 g/mol
Exact Mass330.03
IUPAC Name2-(7-bromo-9H-fluoren-2-yl)-2-methyl-1,3-dioxolane
SMILESCC1(c2ccc3c(c2)Cc2cc(Br)ccc2-3)OCCO1
InChIInChI=1S/C17H15BrO2/c1-17(19-6-7-20-17)13-2-4-15-11(9-13)8-12-10-14(18)3-5-16(12)15/h2-5,9-10H,6-8H2,1H3
InChIKeyHRMQWWBFESDSIM-UHFFFAOYSA-N
XLogP4.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(7-bromo-9H-fluoren-2-yl)-2-methyl-1,3-dioxolane with MolForge

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Related Compounds

6-Bromo-5-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]
CID 69199438
5-Bromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]
CID 69199578
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

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-9H-fluoren-2-yl)-2-methyl-1,3-dioxolane?
The IUPAC name of 2-(7-bromo-9H-fluoren-2-yl)-2-methyl-1,3-dioxolane (CID 145082434) is 2-(7-bromo-9H-fluoren-2-yl)-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-(7-bromo-9H-fluoren-2-yl)-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-(7-bromo-9H-fluoren-2-yl)-2-methyl-1,3-dioxolane is CC1(c2ccc3c(c2)Cc2cc(Br)ccc2-3)OCCO1.
What is the InChIKey of 2-(7-bromo-9H-fluoren-2-yl)-2-methyl-1,3-dioxolane?
The InChIKey is HRMQWWBFESDSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrO2/c1-17(19-6-7-20-17)13-2-4-15-11(9-13)8-12-10-14(18)3-5-16(12)15/h2-5,9-10H,6-8H2,1H3.
What are the key properties of 2-(7-bromo-9H-fluoren-2-yl)-2-methyl-1,3-dioxolane?
2-(7-bromo-9H-fluoren-2-yl)-2-methyl-1,3-dioxolane has a molecular weight of 331.21 g/mol, XLogP of 4.24, 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-methyl-1,3-dioxolane is sourced from PubChem (CID 145082434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).