1-bromo-1,1-dichloro-2,2-diethoxyethane

C6H11BrCl2O2 — CID 169435005

IUPAC1-bromo-1,1-dichloro-2,2-diethoxyethane
SMILESCCOC(OCC)C(Cl)(Cl)Br
InChIInChI=1S/C6H11BrCl2O2/c1-3-10-5(11-4-2)6(7,8)9/h5H,3-4H2,1-2H3
InChIKeyLWAMEEUDPWUZEW-UHFFFAOYSA-N
MW265.96 g/mol
LogP2.91
Rot. Bonds5

About 1-bromo-1,1-dichloro-2,2-diethoxyethane

1-bromo-1,1-dichloro-2,2-diethoxyethane (PubChem CID 169435005) has the molecular formula C6H11BrCl2O2 and a molecular weight of 265.96 g/mol. Its IUPAC name is 1-bromo-1,1-dichloro-2,2-diethoxyethane.

Molecular Properties

Compound Name1-bromo-1,1-dichloro-2,2-diethoxyethane
PubChem CID169435005
Molecular FormulaC6H11BrCl2O2
Molecular Weight265.96 g/mol
Exact Mass263.93
IUPAC Name1-bromo-1,1-dichloro-2,2-diethoxyethane
SMILESCCOC(OCC)C(Cl)(Cl)Br
InChIInChI=1S/C6H11BrCl2O2/c1-3-10-5(11-4-2)6(7,8)9/h5H,3-4H2,1-2H3
InChIKeyLWAMEEUDPWUZEW-UHFFFAOYSA-N
XLogP2.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.96
LogP ≤ 52.91
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'}

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Related Compounds

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CID 10998456
ethyl 2,2-dichloro-3,3-diethoxypropanoate
CID 14926947
ethoxyethane;tetrachloromethane
CID 87294863
dichloromethoxyethane
CID 12643245
3-anilino-2-chloro-1,1-diethoxypropan-2-ol
CID 74222928
2-chloro-1-ethoxy-2-ethylbutan-1-amine
CID 22618234
2,2,3-tribromo-3-ethoxy-1,1,1-trifluoropropane
CID 10595847
(1,2-dibromo-2,2-dichloroethyl) diethyl phosphate
CID 21398776
1-bromo-4-[(1R)-1-ethoxy-2-methylpropyl]benzene
CID 124500582
10,10-diethoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-nonadecafluorodecane
CID 57224801
1,1,1-trichloro-3-(1-ethoxyethoxy)propane
CID 173130931
1,1-diethoxy-3-trimethylsilyl-2-(trimethylsilylmethyl)propan-2-ol
CID 10828514

Frequently Asked Questions

What is the IUPAC name of 1-bromo-1,1-dichloro-2,2-diethoxyethane?
The IUPAC name of 1-bromo-1,1-dichloro-2,2-diethoxyethane (CID 169435005) is 1-bromo-1,1-dichloro-2,2-diethoxyethane.
What is the SMILES notation for 1-bromo-1,1-dichloro-2,2-diethoxyethane?
The canonical SMILES for 1-bromo-1,1-dichloro-2,2-diethoxyethane is CCOC(OCC)C(Cl)(Cl)Br.
What is the InChIKey of 1-bromo-1,1-dichloro-2,2-diethoxyethane?
The InChIKey is LWAMEEUDPWUZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11BrCl2O2/c1-3-10-5(11-4-2)6(7,8)9/h5H,3-4H2,1-2H3.
What are the key properties of 1-bromo-1,1-dichloro-2,2-diethoxyethane?
1-bromo-1,1-dichloro-2,2-diethoxyethane has a molecular weight of 265.96 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1,1-dichloro-2,2-diethoxyethane is sourced from PubChem (CID 169435005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).