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

C17H12BrClF2O2 — CID 145082421

IUPAC2-(7-bromo-9,9-difluorofluoren-2-yl)-2-(chloromethyl)-1,3-dioxolane
SMILESFC1(F)c2cc(Br)ccc2-c2ccc(C3(CCl)OCCO3)cc21
InChIInChI=1S/C17H12BrClF2O2/c18-11-2-4-13-12-3-1-10(16(9-19)22-5-6-23-16)7-14(12)17(20,21)15(13)8-11/h1-4,7-8H,5-6,9H2
InChIKeyQTIWKIFURWJUIF-UHFFFAOYSA-N
MW401.63 g/mol
LogP5.01
Rot. Bonds2

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

2-(7-bromo-9,9-difluorofluoren-2-yl)-2-(chloromethyl)-1,3-dioxolane (PubChem CID 145082421) has the molecular formula C17H12BrClF2O2 and a molecular weight of 401.63 g/mol. Its IUPAC name is 2-(7-bromo-9,9-difluorofluoren-2-yl)-2-(chloromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(7-bromo-9,9-difluorofluoren-2-yl)-2-(chloromethyl)-1,3-dioxolane
PubChem CID145082421
Molecular FormulaC17H12BrClF2O2
Molecular Weight401.63 g/mol
Exact Mass399.97
IUPAC Name2-(7-bromo-9,9-difluorofluoren-2-yl)-2-(chloromethyl)-1,3-dioxolane
SMILESFC1(F)c2cc(Br)ccc2-c2ccc(C3(CCl)OCCO3)cc21
InChIInChI=1S/C17H12BrClF2O2/c18-11-2-4-13-12-3-1-10(16(9-19)22-5-6-23-16)7-14(12)17(20,21)15(13)8-11/h1-4,7-8H,5-6,9H2
InChIKeyQTIWKIFURWJUIF-UHFFFAOYSA-N
XLogP5.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.63
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-(7-bromo-9,9-difluorofluoren-2-yl)-2-(chloromethyl)-1,3-dioxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
2-(7-bromo-9H-fluoren-2-yl)-1,3-dioxolane
CID 89643767
2-(7-Bromo-9,9-dimethylfluoren-2-yl)-1,3-dioxolane
CID 138708118
2-(7-bromo-9H-fluoren-2-yl)-2-(bromomethyl)-1,3-dioxolane
CID 141480734
2-bromo-7-(2-chloro-1,1-dimethoxyethyl)-9H-fluorene
CID 141480735
2-(7-bromo-9H-fluoren-2-yl)-2-(chloromethyl)-5,5-dimethyl-1,3-dioxane
CID 145082427
2-(7-bromo-9H-fluoren-2-yl)-2-(chloromethyl)-1,3-dioxolane
CID 145082429
2-(7-bromo-9H-fluoren-2-yl)-2-ethyl-1,3-dioxolane
CID 145082431
2-(7-bromo-9H-fluoren-2-yl)-2-methyl-1,3-dioxolane
CID 145082434

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-9,9-difluorofluoren-2-yl)-2-(chloromethyl)-1,3-dioxolane?
The IUPAC name of 2-(7-bromo-9,9-difluorofluoren-2-yl)-2-(chloromethyl)-1,3-dioxolane (CID 145082421) is 2-(7-bromo-9,9-difluorofluoren-2-yl)-2-(chloromethyl)-1,3-dioxolane.
What is the SMILES notation for 2-(7-bromo-9,9-difluorofluoren-2-yl)-2-(chloromethyl)-1,3-dioxolane?
The canonical SMILES for 2-(7-bromo-9,9-difluorofluoren-2-yl)-2-(chloromethyl)-1,3-dioxolane is FC1(F)c2cc(Br)ccc2-c2ccc(C3(CCl)OCCO3)cc21.
What is the InChIKey of 2-(7-bromo-9,9-difluorofluoren-2-yl)-2-(chloromethyl)-1,3-dioxolane?
The InChIKey is QTIWKIFURWJUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrClF2O2/c18-11-2-4-13-12-3-1-10(16(9-19)22-5-6-23-16)7-14(12)17(20,21)15(13)8-11/h1-4,7-8H,5-6,9H2.
What are the key properties of 2-(7-bromo-9,9-difluorofluoren-2-yl)-2-(chloromethyl)-1,3-dioxolane?
2-(7-bromo-9,9-difluorofluoren-2-yl)-2-(chloromethyl)-1,3-dioxolane has a molecular weight of 401.63 g/mol, XLogP of 5.01, 2 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-difluorofluoren-2-yl)-2-(chloromethyl)-1,3-dioxolane is sourced from PubChem (CID 145082421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).