1,1,2-tribromo-2-[2-(1-ethoxyethoxy)ethyl]cyclopropane

C9H15Br3O2 — CID 18548194

IUPAC1,1,2-tribromo-2-[2-(1-ethoxyethoxy)ethyl]cyclopropane
SMILESCCOC(C)OCCC1(Br)CC1(Br)Br
InChIInChI=1S/C9H15Br3O2/c1-3-13-7(2)14-5-4-8(10)6-9(8,11)12/h7H,3-6H2,1-2H3
InChIKeyKUPYCQADTDVPDX-UHFFFAOYSA-N
MW394.93 g/mol
LogP3.80
Rot. Bonds6

About 1,1,2-tribromo-2-[2-(1-ethoxyethoxy)ethyl]cyclopropane

1,1,2-tribromo-2-[2-(1-ethoxyethoxy)ethyl]cyclopropane (PubChem CID 18548194) has the molecular formula C9H15Br3O2 and a molecular weight of 394.93 g/mol. Its IUPAC name is 1,1,2-tribromo-2-[2-(1-ethoxyethoxy)ethyl]cyclopropane.

Molecular Properties

Compound Name1,1,2-tribromo-2-[2-(1-ethoxyethoxy)ethyl]cyclopropane
PubChem CID18548194
Molecular FormulaC9H15Br3O2
Molecular Weight394.93 g/mol
Exact Mass391.86
IUPAC Name1,1,2-tribromo-2-[2-(1-ethoxyethoxy)ethyl]cyclopropane
SMILESCCOC(C)OCCC1(Br)CC1(Br)Br
InChIInChI=1S/C9H15Br3O2/c1-3-13-7(2)14-5-4-8(10)6-9(8,11)12/h7H,3-6H2,1-2H3
InChIKeyKUPYCQADTDVPDX-UHFFFAOYSA-N
XLogP3.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.93
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1,1,2-tribromo-2-[2-(1-ethoxyethoxy)ethyl]cyclopropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,2-tribromo-2-[2-(1-ethoxyethoxy)ethyl]cyclopropane?
The IUPAC name of 1,1,2-tribromo-2-[2-(1-ethoxyethoxy)ethyl]cyclopropane (CID 18548194) is 1,1,2-tribromo-2-[2-(1-ethoxyethoxy)ethyl]cyclopropane.
What is the SMILES notation for 1,1,2-tribromo-2-[2-(1-ethoxyethoxy)ethyl]cyclopropane?
The canonical SMILES for 1,1,2-tribromo-2-[2-(1-ethoxyethoxy)ethyl]cyclopropane is CCOC(C)OCCC1(Br)CC1(Br)Br.
What is the InChIKey of 1,1,2-tribromo-2-[2-(1-ethoxyethoxy)ethyl]cyclopropane?
The InChIKey is KUPYCQADTDVPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15Br3O2/c1-3-13-7(2)14-5-4-8(10)6-9(8,11)12/h7H,3-6H2,1-2H3.
What are the key properties of 1,1,2-tribromo-2-[2-(1-ethoxyethoxy)ethyl]cyclopropane?
1,1,2-tribromo-2-[2-(1-ethoxyethoxy)ethyl]cyclopropane has a molecular weight of 394.93 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-tribromo-2-[2-(1-ethoxyethoxy)ethyl]cyclopropane is sourced from PubChem (CID 18548194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).