2-(2-bromo-3-chloro-6-fluoro-4-methylphenyl)-1,3-dioxolane

C10H9BrClFO2 — CID 175922788

IUPAC2-(2-bromo-3-chloro-6-fluoro-4-methylphenyl)-1,3-dioxolane
SMILESCc1cc(F)c(C2OCCO2)c(Br)c1Cl
InChIInChI=1S/C10H9BrClFO2/c1-5-4-6(13)7(8(11)9(5)12)10-14-2-3-15-10/h4,10H,2-3H2,1H3
InChIKeyUOXOAJZBQPFIQW-UHFFFAOYSA-N
MW295.53 g/mol
LogP3.60
Rot. Bonds1

About 2-(2-bromo-3-chloro-6-fluoro-4-methylphenyl)-1,3-dioxolane

2-(2-bromo-3-chloro-6-fluoro-4-methylphenyl)-1,3-dioxolane (PubChem CID 175922788) has the molecular formula C10H9BrClFO2 and a molecular weight of 295.53 g/mol. Its IUPAC name is 2-(2-bromo-3-chloro-6-fluoro-4-methylphenyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(2-bromo-3-chloro-6-fluoro-4-methylphenyl)-1,3-dioxolane
PubChem CID175922788
Molecular FormulaC10H9BrClFO2
Molecular Weight295.53 g/mol
Exact Mass293.95
IUPAC Name2-(2-bromo-3-chloro-6-fluoro-4-methylphenyl)-1,3-dioxolane
SMILESCc1cc(F)c(C2OCCO2)c(Br)c1Cl
InChIInChI=1S/C10H9BrClFO2/c1-5-4-6(13)7(8(11)9(5)12)10-14-2-3-15-10/h4,10H,2-3H2,1H3
InChIKeyUOXOAJZBQPFIQW-UHFFFAOYSA-N
XLogP3.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.53
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-chloro-6-fluoro-4-methylphenyl)-1,3-dioxolane?
The IUPAC name of 2-(2-bromo-3-chloro-6-fluoro-4-methylphenyl)-1,3-dioxolane (CID 175922788) is 2-(2-bromo-3-chloro-6-fluoro-4-methylphenyl)-1,3-dioxolane.
What is the SMILES notation for 2-(2-bromo-3-chloro-6-fluoro-4-methylphenyl)-1,3-dioxolane?
The canonical SMILES for 2-(2-bromo-3-chloro-6-fluoro-4-methylphenyl)-1,3-dioxolane is Cc1cc(F)c(C2OCCO2)c(Br)c1Cl.
What is the InChIKey of 2-(2-bromo-3-chloro-6-fluoro-4-methylphenyl)-1,3-dioxolane?
The InChIKey is UOXOAJZBQPFIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClFO2/c1-5-4-6(13)7(8(11)9(5)12)10-14-2-3-15-10/h4,10H,2-3H2,1H3.
What are the key properties of 2-(2-bromo-3-chloro-6-fluoro-4-methylphenyl)-1,3-dioxolane?
2-(2-bromo-3-chloro-6-fluoro-4-methylphenyl)-1,3-dioxolane has a molecular weight of 295.53 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3-chloro-6-fluoro-4-methylphenyl)-1,3-dioxolane is sourced from PubChem (CID 175922788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).