1-bromo-1,2-dichlorocyclopropane

C3H3BrCl2 — CID 592798

IUPAC1-bromo-1,2-dichlorocyclopropane
SMILESClC1CC1(Cl)Br
InChIInChI=1S/C3H3BrCl2/c4-3(6)1-2(3)5/h2H,1H2
InChIKeyXGCVMKNKZIYBRW-UHFFFAOYSA-N
MW189.87 g/mol
LogP2.33
Rot. Bonds

About 1-bromo-1,2-dichlorocyclopropane

1-bromo-1,2-dichlorocyclopropane (PubChem CID 592798) has the molecular formula C3H3BrCl2 and a molecular weight of 189.87 g/mol. Its IUPAC name is 1-bromo-1,2-dichlorocyclopropane.

Molecular Properties

Compound Name1-bromo-1,2-dichlorocyclopropane
PubChem CID592798
Molecular FormulaC3H3BrCl2
Molecular Weight189.87 g/mol
Exact Mass187.88
IUPAC Name1-bromo-1,2-dichlorocyclopropane
SMILESClC1CC1(Cl)Br
InChIInChI=1S/C3H3BrCl2/c4-3(6)1-2(3)5/h2H,1H2
InChIKeyXGCVMKNKZIYBRW-UHFFFAOYSA-N
XLogP2.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.87
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

cis-(2S,3R)-1-bromo-1,2,3-trichlorocyclopropane
CID 134985738
1,2-dichloro-1-ethylcyclopropane
CID 54534885
2-chlorospiro[2.4]hepta-4,6-diene
CID 13398021
2,2-dichlorocyclopropan-1-ol
CID 13351707
1,4,5,7,7-pentachlorobicyclo[2.2.1]hept-2-ene
CID 19736081
(1S,4R,5R)-1,2,3,4,5,7,7-heptachlorobicyclo[2.2.1]hept-2-ene
CID 21117279
trans-(1R,2S)-1-bromo-2-chlorocyclohexan-1-amine
CID 173103835
(1R,3S,4S)-4-bromo-1-[(1R,3S)-3-bromo-1,2,2-trimethylcyclopentyl]-3-chloro-4-methylcyclohexan-1-ol
CID 76900357
1-chloro-1,2-difluorocyclopropane
CID 69232639
(1S,2S,4R,5S)-1,2,4,5-tetrachloro-1-ethylcyclohexane
CID 98153250
6-bromo-6-chloro-1,4-dioxepane-5,7-diol
CID 71398250
1-bromocyclopropan-1-ol
CID 84762478

Frequently Asked Questions

What is the IUPAC name of 1-bromo-1,2-dichlorocyclopropane?
The IUPAC name of 1-bromo-1,2-dichlorocyclopropane (CID 592798) is 1-bromo-1,2-dichlorocyclopropane.
What is the SMILES notation for 1-bromo-1,2-dichlorocyclopropane?
The canonical SMILES for 1-bromo-1,2-dichlorocyclopropane is ClC1CC1(Cl)Br.
What is the InChIKey of 1-bromo-1,2-dichlorocyclopropane?
The InChIKey is XGCVMKNKZIYBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3BrCl2/c4-3(6)1-2(3)5/h2H,1H2.
What are the key properties of 1-bromo-1,2-dichlorocyclopropane?
1-bromo-1,2-dichlorocyclopropane has a molecular weight of 189.87 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1,2-dichlorocyclopropane is sourced from PubChem (CID 592798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).