1-(2-bromoethoxy)-1-chloroethane

C4H8BrClO — CID 119095607

IUPAC1-(2-bromoethoxy)-1-chloroethane
SMILESCC(Cl)OCCBr
InChIInChI=1S/C4H8BrClO/c1-4(6)7-3-2-5/h4H,2-3H2,1H3
InChIKeyCHDMUCGLGVHLIJ-UHFFFAOYSA-N
MW187.46 g/mol
LogP1.98
Rot. Bonds3

About 1-(2-bromoethoxy)-1-chloroethane

1-(2-bromoethoxy)-1-chloroethane (PubChem CID 119095607) has the molecular formula C4H8BrClO and a molecular weight of 187.46 g/mol. Its IUPAC name is 1-(2-bromoethoxy)-1-chloroethane.

Molecular Properties

Compound Name1-(2-bromoethoxy)-1-chloroethane
PubChem CID119095607
Molecular FormulaC4H8BrClO
Molecular Weight187.46 g/mol
Exact Mass185.94
IUPAC Name1-(2-bromoethoxy)-1-chloroethane
SMILESCC(Cl)OCCBr
InChIInChI=1S/C4H8BrClO/c1-4(6)7-3-2-5/h4H,2-3H2,1H3
InChIKeyCHDMUCGLGVHLIJ-UHFFFAOYSA-N
XLogP1.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.46
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(1-chloroethoxy)ethyl acetate
CID 10888290
1-(2-bromoethoxy)-2,2,2-trichloroethanol
CID 56984427
1-(2-bromoethoxy)ethylbenzene
CID 24688557
1-bromo-2-chloropropane;2-chloropropane
CID 174371360
1,2-dibromoethane;1,1-dichloroethane;1,2-dichloroethane
CID 161263882
1-(2-bromoethoxy)ethoxybenzene
CID 69208548
1-(1-chloroethoxy)but-2-ene
CID 91247545
1-(1-chloroethoxymethoxy)dodecane
CID 174404410
1-(4-bromobutan-2-yloxy)-3-methylbutane
CID 131855692
3-(1-chloroethoxy)-1,1,1,2,2-pentafluoropropane
CID 14512779
2-(2-bromoethoxy)-1-phenylpropan-1-one
CID 54435812
1-bromo-2-methoxyethane;phosphane
CID 87651016

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethoxy)-1-chloroethane?
The IUPAC name of 1-(2-bromoethoxy)-1-chloroethane (CID 119095607) is 1-(2-bromoethoxy)-1-chloroethane.
What is the SMILES notation for 1-(2-bromoethoxy)-1-chloroethane?
The canonical SMILES for 1-(2-bromoethoxy)-1-chloroethane is CC(Cl)OCCBr.
What is the InChIKey of 1-(2-bromoethoxy)-1-chloroethane?
The InChIKey is CHDMUCGLGVHLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8BrClO/c1-4(6)7-3-2-5/h4H,2-3H2,1H3.
What are the key properties of 1-(2-bromoethoxy)-1-chloroethane?
1-(2-bromoethoxy)-1-chloroethane has a molecular weight of 187.46 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethoxy)-1-chloroethane is sourced from PubChem (CID 119095607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).