1-bromo-3-(3-bromo-2-chloropropoxy)-2-chloropropane

C6H10Br2Cl2O — CID 57314653

IUPAC1-bromo-3-(3-bromo-2-chloropropoxy)-2-chloropropane
SMILESClC(CBr)COCC(Cl)CBr
InChIInChI=1S/C6H10Br2Cl2O/c7-1-5(9)3-11-4-6(10)2-8/h5-6H,1-4H2
InChIKeyKRFKALZMCDXGMD-UHFFFAOYSA-N
MW328.86 g/mol
LogP3.01
Rot. Bonds6

About 1-bromo-3-(3-bromo-2-chloropropoxy)-2-chloropropane

1-bromo-3-(3-bromo-2-chloropropoxy)-2-chloropropane (PubChem CID 57314653) has the molecular formula C6H10Br2Cl2O and a molecular weight of 328.86 g/mol. Its IUPAC name is 1-bromo-3-(3-bromo-2-chloropropoxy)-2-chloropropane.

Molecular Properties

Compound Name1-bromo-3-(3-bromo-2-chloropropoxy)-2-chloropropane
PubChem CID57314653
Molecular FormulaC6H10Br2Cl2O
Molecular Weight328.86 g/mol
Exact Mass325.85
IUPAC Name1-bromo-3-(3-bromo-2-chloropropoxy)-2-chloropropane
SMILESClC(CBr)COCC(Cl)CBr
InChIInChI=1S/C6H10Br2Cl2O/c7-1-5(9)3-11-4-6(10)2-8/h5-6H,1-4H2
InChIKeyKRFKALZMCDXGMD-UHFFFAOYSA-N
XLogP3.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.86
LogP ≤ 53.01
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

(2S)-1,2-dichloro-3-[(2R)-2,3-dichloropropoxy]propane
CID 95858502
(2R)-1-bromo-2-chlorobutane
CID 57480694
(2R)-1,2-dibromo-3-[[(2R)-2,3-dibromopropoxy]methoxy]propane
CID 98134035
1,2-dibromo-3-[2-(2,3-dibromopropoxy)ethoxy]propane
CID 154093304
1,2-dibromo-3-(2,3-dibromopropoxymethoxy)propane
CID 12585580
1,4-dichloro-5-(2,5-dichloro-4-methylpentoxy)-2-methylpentane
CID 71421457
azane;2-bromo-1,1-dichloroethane
CID 174995593
2-bromo-1-chloro-1-fluoroethane
CID 13299939
1-bromo-2-chloropropane;2-chloropropane
CID 174371360
ethyl 3-chloro-4-(2-chloro-4-ethoxy-4-oxobutoxy)butanoate
CID 131842821
1-(3-bromo-2-hydroxypropoxy)-3-ethoxypropan-2-ol
CID 148545337
1-bromo-4-(2,3-dibromopropoxy)butane
CID 139648605

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(3-bromo-2-chloropropoxy)-2-chloropropane?
The IUPAC name of 1-bromo-3-(3-bromo-2-chloropropoxy)-2-chloropropane (CID 57314653) is 1-bromo-3-(3-bromo-2-chloropropoxy)-2-chloropropane.
What is the SMILES notation for 1-bromo-3-(3-bromo-2-chloropropoxy)-2-chloropropane?
The canonical SMILES for 1-bromo-3-(3-bromo-2-chloropropoxy)-2-chloropropane is ClC(CBr)COCC(Cl)CBr.
What is the InChIKey of 1-bromo-3-(3-bromo-2-chloropropoxy)-2-chloropropane?
The InChIKey is KRFKALZMCDXGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Br2Cl2O/c7-1-5(9)3-11-4-6(10)2-8/h5-6H,1-4H2.
What are the key properties of 1-bromo-3-(3-bromo-2-chloropropoxy)-2-chloropropane?
1-bromo-3-(3-bromo-2-chloropropoxy)-2-chloropropane has a molecular weight of 328.86 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(3-bromo-2-chloropropoxy)-2-chloropropane is sourced from PubChem (CID 57314653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).