cis-(2S,3R)-1-bromo-1,2,3-trichlorocyclopropane

C3H2BrCl3 — CID 134985738

IUPACcis-(2S,3R)-1-bromo-1,2,3-trichlorocyclopropane
SMILESCl[C@@H]1[C@H](Cl)C1(Cl)Br
InChIInChI=1S/C3H2BrCl3/c4-3(7)1(5)2(3)6/h1-2H/t1-,2+,3?
InChIKeyXTDYOGWMPRVIGJ-DLHILHCESA-N
MW224.31 g/mol
LogP2.54
Rot. Bonds

About cis-(2S,3R)-1-bromo-1,2,3-trichlorocyclopropane

cis-(2S,3R)-1-bromo-1,2,3-trichlorocyclopropane (PubChem CID 134985738) has the molecular formula C3H2BrCl3 and a molecular weight of 224.31 g/mol. Its IUPAC name is cis-(2S,3R)-1-bromo-1,2,3-trichlorocyclopropane.

Molecular Properties

Compound Namecis-(2S,3R)-1-bromo-1,2,3-trichlorocyclopropane
PubChem CID134985738
Molecular FormulaC3H2BrCl3
Molecular Weight224.31 g/mol
Exact Mass221.84
IUPAC Namecis-(2S,3R)-1-bromo-1,2,3-trichlorocyclopropane
SMILESCl[C@@H]1[C@H](Cl)C1(Cl)Br
InChIInChI=1S/C3H2BrCl3/c4-3(7)1(5)2(3)6/h1-2H/t1-,2+,3?
InChIKeyXTDYOGWMPRVIGJ-DLHILHCESA-N
XLogP2.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 52.54
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 cis-(2S,3R)-1-bromo-1,2,3-trichlorocyclopropane?
The IUPAC name of cis-(2S,3R)-1-bromo-1,2,3-trichlorocyclopropane (CID 134985738) is cis-(2S,3R)-1-bromo-1,2,3-trichlorocyclopropane.
What is the SMILES notation for cis-(2S,3R)-1-bromo-1,2,3-trichlorocyclopropane?
The canonical SMILES for cis-(2S,3R)-1-bromo-1,2,3-trichlorocyclopropane is Cl[C@@H]1[C@H](Cl)C1(Cl)Br.
What is the InChIKey of cis-(2S,3R)-1-bromo-1,2,3-trichlorocyclopropane?
The InChIKey is XTDYOGWMPRVIGJ-DLHILHCESA-N. The full InChI is InChI=1S/C3H2BrCl3/c4-3(7)1(5)2(3)6/h1-2H/t1-,2+,3?.
What are the key properties of cis-(2S,3R)-1-bromo-1,2,3-trichlorocyclopropane?
cis-(2S,3R)-1-bromo-1,2,3-trichlorocyclopropane has a molecular weight of 224.31 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2S,3R)-1-bromo-1,2,3-trichlorocyclopropane is sourced from PubChem (CID 134985738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).