2-(3-bromo-4-fluorophenyl)-1,3-dioxolane

C9H8BrFO2 — CID 10977765

IUPAC2-(3-bromo-4-fluorophenyl)-1,3-dioxolane
SMILESFc1ccc(C2OCCO2)cc1Br
InChIInChI=1S/C9H8BrFO2/c10-7-5-6(1-2-8(7)11)9-12-3-4-13-9/h1-2,5,9H,3-4H2
InChIKeyOATOZCSPTSMOIY-UHFFFAOYSA-N
MW247.06 g/mol
LogP2.63
Rot. Bonds1

About 2-(3-bromo-4-fluorophenyl)-1,3-dioxolane

2-(3-bromo-4-fluorophenyl)-1,3-dioxolane (PubChem CID 10977765) has the molecular formula C9H8BrFO2 and a molecular weight of 247.06 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-1,3-dioxolane
PubChem CID10977765
Molecular FormulaC9H8BrFO2
Molecular Weight247.06 g/mol
Exact Mass245.97
IUPAC Name2-(3-bromo-4-fluorophenyl)-1,3-dioxolane
SMILESFc1ccc(C2OCCO2)cc1Br
InChIInChI=1S/C9H8BrFO2/c10-7-5-6(1-2-8(7)11)9-12-3-4-13-9/h1-2,5,9H,3-4H2
InChIKeyOATOZCSPTSMOIY-UHFFFAOYSA-N
XLogP2.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.06
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Phenyl-1,3-dioxolane
CID 70293
2-(3-Bromophenyl)-1,3-dioxolane
CID 87306
1-Bromo-3-(dimethoxymethyl)benzene
CID 105395
2-(2-Bromophenyl)-1,3-dioxolane
CID 553534
2-(4-Bromophenyl)-2-methyl-1,3-dioxolane
CID 614920
1-Bromo-4-(dimethoxymethyl)benzene
CID 688342
1-Bromo-2-(diethoxymethyl)benzene
CID 3482778
1-Bromo-2-(dimethoxymethyl)benzene
CID 11148943
1-Bromo-4-(diethoxymethyl)benzene
CID 688340
1-Bromo-3-(diethoxymethyl)benzene
CID 2733543
2-(4-(Bromomethyl)phenyl)-1,3-dioxolane
CID 12134349
2-(4-Bromophenyl)-1,3-dioxolane
CID 2773842

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-1,3-dioxolane?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-1,3-dioxolane (CID 10977765) is 2-(3-bromo-4-fluorophenyl)-1,3-dioxolane.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-1,3-dioxolane?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-1,3-dioxolane is Fc1ccc(C2OCCO2)cc1Br.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-1,3-dioxolane?
The InChIKey is OATOZCSPTSMOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFO2/c10-7-5-6(1-2-8(7)11)9-12-3-4-13-9/h1-2,5,9H,3-4H2.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-1,3-dioxolane?
2-(3-bromo-4-fluorophenyl)-1,3-dioxolane has a molecular weight of 247.06 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-1,3-dioxolane is sourced from PubChem (CID 10977765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).