bromo(chloro)methane;1,1-dichloroethane;1,2-dichloroethane

C5H10BrCl5 — CID 174840112

IUPACbromo(chloro)methane;1,1-dichloroethane;1,2-dichloroethane
SMILESCC(Cl)Cl.ClCBr.ClCCCl
InChIInChI=1S/2C2H4Cl2.CH2BrCl/c1-2(3)4;3-1-2-4;2-1-3/h2H,1H3;1-2H2;1H2
InChIKeySUKNDVMZBLNZCX-UHFFFAOYSA-N
MW327.30 g/mol
LogP4.85
Rot. Bonds1

About bromo(chloro)methane;1,1-dichloroethane;1,2-dichloroethane

bromo(chloro)methane;1,1-dichloroethane;1,2-dichloroethane (PubChem CID 174840112) has the molecular formula C5H10BrCl5 and a molecular weight of 327.30 g/mol. Its IUPAC name is bromo(chloro)methane;1,1-dichloroethane;1,2-dichloroethane.

Molecular Properties

Compound Namebromo(chloro)methane;1,1-dichloroethane;1,2-dichloroethane
PubChem CID174840112
Molecular FormulaC5H10BrCl5
Molecular Weight327.30 g/mol
Exact Mass323.84
IUPAC Namebromo(chloro)methane;1,1-dichloroethane;1,2-dichloroethane
SMILESCC(Cl)Cl.ClCBr.ClCCCl
InChIInChI=1S/2C2H4Cl2.CH2BrCl/c1-2(3)4;3-1-2-4;2-1-3/h2H,1H3;1-2H2;1H2
InChIKeySUKNDVMZBLNZCX-UHFFFAOYSA-N
XLogP4.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.30
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bromo(chloro)methane;1,1-dichloroethane;1,2-dichloroethane?
The IUPAC name of bromo(chloro)methane;1,1-dichloroethane;1,2-dichloroethane (CID 174840112) is bromo(chloro)methane;1,1-dichloroethane;1,2-dichloroethane.
What is the SMILES notation for bromo(chloro)methane;1,1-dichloroethane;1,2-dichloroethane?
The canonical SMILES for bromo(chloro)methane;1,1-dichloroethane;1,2-dichloroethane is CC(Cl)Cl.ClCBr.ClCCCl.
What is the InChIKey of bromo(chloro)methane;1,1-dichloroethane;1,2-dichloroethane?
The InChIKey is SUKNDVMZBLNZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H4Cl2.CH2BrCl/c1-2(3)4;3-1-2-4;2-1-3/h2H,1H3;1-2H2;1H2.
What are the key properties of bromo(chloro)methane;1,1-dichloroethane;1,2-dichloroethane?
bromo(chloro)methane;1,1-dichloroethane;1,2-dichloroethane has a molecular weight of 327.30 g/mol, XLogP of 4.85, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo(chloro)methane;1,1-dichloroethane;1,2-dichloroethane is sourced from PubChem (CID 174840112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).