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

C10H10BrFO2 — CID 135277012

IUPAC2-(3-bromo-6-fluoro-2-methylphenyl)-1,3-dioxolane
SMILESCc1c(Br)ccc(F)c1C1OCCO1
InChIInChI=1S/C10H10BrFO2/c1-6-7(11)2-3-8(12)9(6)10-13-4-5-14-10/h2-3,10H,4-5H2,1H3
InChIKeyWJWUCWKZTPSPJL-UHFFFAOYSA-N
MW261.09 g/mol
LogP2.94
Rot. Bonds1

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

2-(3-bromo-6-fluoro-2-methylphenyl)-1,3-dioxolane (PubChem CID 135277012) has the molecular formula C10H10BrFO2 and a molecular weight of 261.09 g/mol. Its IUPAC name is 2-(3-bromo-6-fluoro-2-methylphenyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(3-bromo-6-fluoro-2-methylphenyl)-1,3-dioxolane
PubChem CID135277012
Molecular FormulaC10H10BrFO2
Molecular Weight261.09 g/mol
Exact Mass259.98
IUPAC Name2-(3-bromo-6-fluoro-2-methylphenyl)-1,3-dioxolane
SMILESCc1c(Br)ccc(F)c1C1OCCO1
InChIInChI=1S/C10H10BrFO2/c1-6-7(11)2-3-8(12)9(6)10-13-4-5-14-10/h2-3,10H,4-5H2,1H3
InChIKeyWJWUCWKZTPSPJL-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-(3-Bromophenyl)-1,3-dioxolane
CID 87306
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
1-Bromo-3-(diethoxymethyl)benzene
CID 2733543
2-(4-Bromophenyl)-1,3-dioxolane
CID 2773842
2-Bromo-1-(diethoxymethyl)-4-fluorobenzene
CID 18357605
2-Bromo-4-(dimethoxymethyl)-1-fluorobenzene
CID 22260864
2-(4-Bromo-3-fluorophenyl)-1,3-dioxolane
CID 131524181
1-Bromo-2-(dimethoxymethyl)-4-fluorobenzene
CID 25189388
2-(2-Bromo-4-fluorophenyl)-1,3-dioxolane
CID 66510852

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-6-fluoro-2-methylphenyl)-1,3-dioxolane?
The IUPAC name of 2-(3-bromo-6-fluoro-2-methylphenyl)-1,3-dioxolane (CID 135277012) is 2-(3-bromo-6-fluoro-2-methylphenyl)-1,3-dioxolane.
What is the SMILES notation for 2-(3-bromo-6-fluoro-2-methylphenyl)-1,3-dioxolane?
The canonical SMILES for 2-(3-bromo-6-fluoro-2-methylphenyl)-1,3-dioxolane is Cc1c(Br)ccc(F)c1C1OCCO1.
What is the InChIKey of 2-(3-bromo-6-fluoro-2-methylphenyl)-1,3-dioxolane?
The InChIKey is WJWUCWKZTPSPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO2/c1-6-7(11)2-3-8(12)9(6)10-13-4-5-14-10/h2-3,10H,4-5H2,1H3.
What are the key properties of 2-(3-bromo-6-fluoro-2-methylphenyl)-1,3-dioxolane?
2-(3-bromo-6-fluoro-2-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-(3-bromo-6-fluoro-2-methylphenyl)-1,3-dioxolane is sourced from PubChem (CID 135277012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).