2-(5-bromo-2-ethyl-4-fluorophenyl)-1,3-dioxolane

C11H12BrFO2 — CID 134499012

IUPAC2-(5-bromo-2-ethyl-4-fluorophenyl)-1,3-dioxolane
SMILESCCc1cc(F)c(Br)cc1C1OCCO1
InChIInChI=1S/C11H12BrFO2/c1-2-7-5-10(13)9(12)6-8(7)11-14-3-4-15-11/h5-6,11H,2-4H2,1H3
InChIKeyIUOLKCOLLQOIDV-UHFFFAOYSA-N
MW275.12 g/mol
LogP3.20
Rot. Bonds2

About 2-(5-bromo-2-ethyl-4-fluorophenyl)-1,3-dioxolane

2-(5-bromo-2-ethyl-4-fluorophenyl)-1,3-dioxolane (PubChem CID 134499012) has the molecular formula C11H12BrFO2 and a molecular weight of 275.12 g/mol. Its IUPAC name is 2-(5-bromo-2-ethyl-4-fluorophenyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(5-bromo-2-ethyl-4-fluorophenyl)-1,3-dioxolane
PubChem CID134499012
Molecular FormulaC11H12BrFO2
Molecular Weight275.12 g/mol
Exact Mass274.00
IUPAC Name2-(5-bromo-2-ethyl-4-fluorophenyl)-1,3-dioxolane
SMILESCCc1cc(F)c(Br)cc1C1OCCO1
InChIInChI=1S/C11H12BrFO2/c1-2-7-5-10(13)9(12)6-8(7)11-14-3-4-15-11/h5-6,11H,2-4H2,1H3
InChIKeyIUOLKCOLLQOIDV-UHFFFAOYSA-N
XLogP3.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.12
LogP ≤ 53.20
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
1,3-Dioxolane, 2-(3-bromo-4-fluorophenyl)-
CID 10977765
1-Bromo-4-(diethoxymethyl)benzene
CID 688340
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
5-Bromo-2-(diethoxymethyl)-1,3-difluorobenzene
CID 58335267
2-(2-Bromo-4-fluorophenyl)-1,3-dioxolane
CID 66510852

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-ethyl-4-fluorophenyl)-1,3-dioxolane?
The IUPAC name of 2-(5-bromo-2-ethyl-4-fluorophenyl)-1,3-dioxolane (CID 134499012) is 2-(5-bromo-2-ethyl-4-fluorophenyl)-1,3-dioxolane.
What is the SMILES notation for 2-(5-bromo-2-ethyl-4-fluorophenyl)-1,3-dioxolane?
The canonical SMILES for 2-(5-bromo-2-ethyl-4-fluorophenyl)-1,3-dioxolane is CCc1cc(F)c(Br)cc1C1OCCO1.
What is the InChIKey of 2-(5-bromo-2-ethyl-4-fluorophenyl)-1,3-dioxolane?
The InChIKey is IUOLKCOLLQOIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFO2/c1-2-7-5-10(13)9(12)6-8(7)11-14-3-4-15-11/h5-6,11H,2-4H2,1H3.
What are the key properties of 2-(5-bromo-2-ethyl-4-fluorophenyl)-1,3-dioxolane?
2-(5-bromo-2-ethyl-4-fluorophenyl)-1,3-dioxolane has a molecular weight of 275.12 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-ethyl-4-fluorophenyl)-1,3-dioxolane is sourced from PubChem (CID 134499012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).