2-(6-bromo-3-chloro-2-fluorophenyl)-1,3-dioxolane

C9H7BrClFO2 — CID 155293758

IUPAC2-(6-bromo-3-chloro-2-fluorophenyl)-1,3-dioxolane
SMILESFc1c(Cl)ccc(Br)c1C1OCCO1
InChIInChI=1S/C9H7BrClFO2/c10-5-1-2-6(11)8(12)7(5)9-13-3-4-14-9/h1-2,9H,3-4H2
InChIKeyYVKMPQUJLSGOGK-UHFFFAOYSA-N
MW281.51 g/mol
LogP3.29
Rot. Bonds1

About 2-(6-bromo-3-chloro-2-fluorophenyl)-1,3-dioxolane

2-(6-bromo-3-chloro-2-fluorophenyl)-1,3-dioxolane (PubChem CID 155293758) has the molecular formula C9H7BrClFO2 and a molecular weight of 281.51 g/mol. Its IUPAC name is 2-(6-bromo-3-chloro-2-fluorophenyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(6-bromo-3-chloro-2-fluorophenyl)-1,3-dioxolane
PubChem CID155293758
Molecular FormulaC9H7BrClFO2
Molecular Weight281.51 g/mol
Exact Mass279.93
IUPAC Name2-(6-bromo-3-chloro-2-fluorophenyl)-1,3-dioxolane
SMILESFc1c(Cl)ccc(Br)c1C1OCCO1
InChIInChI=1S/C9H7BrClFO2/c10-5-1-2-6(11)8(12)7(5)9-13-3-4-14-9/h1-2,9H,3-4H2
InChIKeyYVKMPQUJLSGOGK-UHFFFAOYSA-N
XLogP3.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.51
LogP ≤ 53.29
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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Related Compounds

2-(2,6-dibromo-4-fluorophenyl)-1,3-dioxolane
CID 156842053
1-bromo-4-chloro-2,3-difluorobenzene
CID 44891216
2-(4-bromo-3-chlorophenyl)-1,3-dioxolane
CID 91619451
2-(4-bromo-2-fluoro-3-methylphenyl)-1,3-dioxolane
CID 164894958
5-bromo-4-(1,3-dioxolan-2-yl)-1,3-benzodioxole
CID 118640946
2-(2,6-difluorophenyl)-1,3-dioxolane
CID 10511746
2-(2-chloro-6-fluorophenyl)-1,3-dioxane
CID 82113848
2-[2-bromo-6-fluoro-4-(trifluoromethyl)phenyl]-1,3-dioxolane
CID 171367229
2-(2,3-difluoro-6-iodophenyl)-1,3-dioxolane
CID 171367349
3-(1,3-dioxolan-2-yl)-2,4-difluorophenol
CID 21063809
4-[(6-bromo-3-chloro-2-fluorophenyl)methyl]piperidine
CID 117491842
6-chloro-5-fluoro-4-iodo-3,4-dihydro-2H-chromene
CID 130935602

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-3-chloro-2-fluorophenyl)-1,3-dioxolane?
The IUPAC name of 2-(6-bromo-3-chloro-2-fluorophenyl)-1,3-dioxolane (CID 155293758) is 2-(6-bromo-3-chloro-2-fluorophenyl)-1,3-dioxolane.
What is the SMILES notation for 2-(6-bromo-3-chloro-2-fluorophenyl)-1,3-dioxolane?
The canonical SMILES for 2-(6-bromo-3-chloro-2-fluorophenyl)-1,3-dioxolane is Fc1c(Cl)ccc(Br)c1C1OCCO1.
What is the InChIKey of 2-(6-bromo-3-chloro-2-fluorophenyl)-1,3-dioxolane?
The InChIKey is YVKMPQUJLSGOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClFO2/c10-5-1-2-6(11)8(12)7(5)9-13-3-4-14-9/h1-2,9H,3-4H2.
What are the key properties of 2-(6-bromo-3-chloro-2-fluorophenyl)-1,3-dioxolane?
2-(6-bromo-3-chloro-2-fluorophenyl)-1,3-dioxolane has a molecular weight of 281.51 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-3-chloro-2-fluorophenyl)-1,3-dioxolane is sourced from PubChem (CID 155293758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).