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

C10H10BrFO2 — CID 164894958

IUPAC2-(4-bromo-2-fluoro-3-methylphenyl)-1,3-dioxolane
SMILESCc1c(Br)ccc(C2OCCO2)c1F
InChIInChI=1S/C10H10BrFO2/c1-6-8(11)3-2-7(9(6)12)10-13-4-5-14-10/h2-3,10H,4-5H2,1H3
InChIKeyKMSNLGWKWDTCEG-UHFFFAOYSA-N
MW261.09 g/mol
LogP2.94
Rot. Bonds1

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

2-(4-bromo-2-fluoro-3-methylphenyl)-1,3-dioxolane (PubChem CID 164894958) has the molecular formula C10H10BrFO2 and a molecular weight of 261.09 g/mol. Its IUPAC name is 2-(4-bromo-2-fluoro-3-methylphenyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(4-bromo-2-fluoro-3-methylphenyl)-1,3-dioxolane
PubChem CID164894958
Molecular FormulaC10H10BrFO2
Molecular Weight261.09 g/mol
Exact Mass259.98
IUPAC Name2-(4-bromo-2-fluoro-3-methylphenyl)-1,3-dioxolane
SMILESCc1c(Br)ccc(C2OCCO2)c1F
InChIInChI=1S/C10H10BrFO2/c1-6-8(11)3-2-7(9(6)12)10-13-4-5-14-10/h2-3,10H,4-5H2,1H3
InChIKeyKMSNLGWKWDTCEG-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(Z)-2-(2-bromo-5-methylphenyl)ethenyl]-2,3-difluorophenyl]-1,3-dioxolane
CID 167713794
2-(4-bromo-2-chloro-3-methylphenyl)-1,3-dioxane
CID 137498901
2-(2,4-difluoro-3-methoxyphenyl)-1,3-dioxolane
CID 162421197
2-(4-bromo-2-fluoro-3-methylphenyl)piperidine
CID 117432838
4-bromo-3-(1,3-dioxolan-2-yl)phenol;ethane
CID 90901779
2-(6-bromo-3-chloro-2-fluorophenyl)-1,3-dioxolane
CID 155293758
[3-bromo-4-(1,3-dioxolan-2-yl)-2,6-difluorophenyl]-trimethylsilane
CID 162504963
(4-bromo-2-fluoro-3-methylphenyl)-(2-methylmorpholin-4-yl)methanone
CID 171382981
2-(2-ethyl-3-fluorophenyl)-1,3-dioxolane
CID 169081956
2-(2,6-dibromo-4-fluorophenyl)-1,3-dioxolane
CID 156842053
4-(1,3-dioxolan-2-yl)-3-fluorobenzoyl fluoride
CID 143451455
2-[2-[3,5-bis(2-bromophenyl)phenyl]phenyl]-1,3-dioxolane
CID 177395730

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluoro-3-methylphenyl)-1,3-dioxolane?
The IUPAC name of 2-(4-bromo-2-fluoro-3-methylphenyl)-1,3-dioxolane (CID 164894958) is 2-(4-bromo-2-fluoro-3-methylphenyl)-1,3-dioxolane.
What is the SMILES notation for 2-(4-bromo-2-fluoro-3-methylphenyl)-1,3-dioxolane?
The canonical SMILES for 2-(4-bromo-2-fluoro-3-methylphenyl)-1,3-dioxolane is Cc1c(Br)ccc(C2OCCO2)c1F.
What is the InChIKey of 2-(4-bromo-2-fluoro-3-methylphenyl)-1,3-dioxolane?
The InChIKey is KMSNLGWKWDTCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO2/c1-6-8(11)3-2-7(9(6)12)10-13-4-5-14-10/h2-3,10H,4-5H2,1H3.
What are the key properties of 2-(4-bromo-2-fluoro-3-methylphenyl)-1,3-dioxolane?
2-(4-bromo-2-fluoro-3-methylphenyl)-1,3-dioxolane has a molecular weight of 261.09 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluoro-3-methylphenyl)-1,3-dioxolane is sourced from PubChem (CID 164894958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).