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

C10H10BrFO2 — CID 11129071

IUPAC2-(3-bromo-4-fluorophenyl)-2-methyl-1,3-dioxolane
SMILESCC1(c2ccc(F)c(Br)c2)OCCO1
InChIInChI=1S/C10H10BrFO2/c1-10(13-4-5-14-10)7-2-3-9(12)8(11)6-7/h2-3,6H,4-5H2,1H3
InChIKeyLQDNWBNNYXLAGM-UHFFFAOYSA-N
MW261.09 g/mol
LogP2.81
Rot. Bonds1

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

2-(3-bromo-4-fluorophenyl)-2-methyl-1,3-dioxolane (PubChem CID 11129071) has the molecular formula C10H10BrFO2 and a molecular weight of 261.09 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-2-methyl-1,3-dioxolane
PubChem CID11129071
Molecular FormulaC10H10BrFO2
Molecular Weight261.09 g/mol
Exact Mass259.98
IUPAC Name2-(3-bromo-4-fluorophenyl)-2-methyl-1,3-dioxolane
SMILESCC1(c2ccc(F)c(Br)c2)OCCO1
InChIInChI=1S/C10H10BrFO2/c1-10(13-4-5-14-10)7-2-3-9(12)8(11)6-7/h2-3,6H,4-5H2,1H3
InChIKeyLQDNWBNNYXLAGM-UHFFFAOYSA-N
XLogP2.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.09
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-2-phenyl-1,3-dioxolane
CID 138006
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-2-(diethoxymethyl)benzene
CID 3482778
1,3-Dioxolane, 2-(3-bromo-4-fluorophenyl)-
CID 10977765
3-(4-Bromophenyl)-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
CID 72205617
2-Bromo-5-fluorobenzyl alcohol, tert.-butyl ether
CID 91730098
1-Bromo-4-(diethoxymethyl)benzene
CID 688340
1-Bromo-3-(diethoxymethyl)benzene
CID 2733543
1-Bromo-3-((propan-2-yloxy)methyl)benzene
CID 57573841

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-2-methyl-1,3-dioxolane?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-2-methyl-1,3-dioxolane (CID 11129071) is 2-(3-bromo-4-fluorophenyl)-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-2-methyl-1,3-dioxolane is CC1(c2ccc(F)c(Br)c2)OCCO1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-2-methyl-1,3-dioxolane?
The InChIKey is LQDNWBNNYXLAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO2/c1-10(13-4-5-14-10)7-2-3-9(12)8(11)6-7/h2-3,6H,4-5H2,1H3.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-2-methyl-1,3-dioxolane?
2-(3-bromo-4-fluorophenyl)-2-methyl-1,3-dioxolane has a molecular weight of 261.09 g/mol, XLogP of 2.81, 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)-2-methyl-1,3-dioxolane is sourced from PubChem (CID 11129071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).