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

C11H11BrF2O2 — CID 68682176

IUPAC2-(4-bromo-3,5-difluorophenyl)-2-ethyl-1,3-dioxolane
SMILESCCC1(c2cc(F)c(Br)c(F)c2)OCCO1
InChIInChI=1S/C11H11BrF2O2/c1-2-11(15-3-4-16-11)7-5-8(13)10(12)9(14)6-7/h5-6H,2-4H2,1H3
InChIKeyIYHZWGXNWOQMHU-UHFFFAOYSA-N
MW293.11 g/mol
LogP3.34
Rot. Bonds2

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

2-(4-bromo-3,5-difluorophenyl)-2-ethyl-1,3-dioxolane (PubChem CID 68682176) has the molecular formula C11H11BrF2O2 and a molecular weight of 293.11 g/mol. Its IUPAC name is 2-(4-bromo-3,5-difluorophenyl)-2-ethyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(4-bromo-3,5-difluorophenyl)-2-ethyl-1,3-dioxolane
PubChem CID68682176
Molecular FormulaC11H11BrF2O2
Molecular Weight293.11 g/mol
Exact Mass291.99
IUPAC Name2-(4-bromo-3,5-difluorophenyl)-2-ethyl-1,3-dioxolane
SMILESCCC1(c2cc(F)c(Br)c(F)c2)OCCO1
InChIInChI=1S/C11H11BrF2O2/c1-2-11(15-3-4-16-11)7-5-8(13)10(12)9(14)6-7/h5-6H,2-4H2,1H3
InChIKeyIYHZWGXNWOQMHU-UHFFFAOYSA-N
XLogP3.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.11
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-difluorophenyl)-2-ethyl-1,3-dioxolane?
The IUPAC name of 2-(4-bromo-3,5-difluorophenyl)-2-ethyl-1,3-dioxolane (CID 68682176) is 2-(4-bromo-3,5-difluorophenyl)-2-ethyl-1,3-dioxolane.
What is the SMILES notation for 2-(4-bromo-3,5-difluorophenyl)-2-ethyl-1,3-dioxolane?
The canonical SMILES for 2-(4-bromo-3,5-difluorophenyl)-2-ethyl-1,3-dioxolane is CCC1(c2cc(F)c(Br)c(F)c2)OCCO1.
What is the InChIKey of 2-(4-bromo-3,5-difluorophenyl)-2-ethyl-1,3-dioxolane?
The InChIKey is IYHZWGXNWOQMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF2O2/c1-2-11(15-3-4-16-11)7-5-8(13)10(12)9(14)6-7/h5-6H,2-4H2,1H3.
What are the key properties of 2-(4-bromo-3,5-difluorophenyl)-2-ethyl-1,3-dioxolane?
2-(4-bromo-3,5-difluorophenyl)-2-ethyl-1,3-dioxolane has a molecular weight of 293.11 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-difluorophenyl)-2-ethyl-1,3-dioxolane is sourced from PubChem (CID 68682176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).