2-[(1S)-2,2-dibromo-1-methylcyclopropyl]acetate

C6H7Br2O2- — CID 6984505

IUPAC2-[(1S)-2,2-dibromo-1-methylcyclopropyl]acetate
SMILESC[C@]1(CC(=O)[O-])CC1(Br)Br
InChIInChI=1S/C6H8Br2O2/c1-5(2-4(9)10)3-6(5,7)8/h2-3H2,1H3,(H,9,10)/p-1/t5-/m0/s1
InChIKeyBFZYHZSTXWAZIY-YFKPBYRVSA-M
MW270.93 g/mol
LogP1.02
Rot. Bonds2

About 2-[(1S)-2,2-dibromo-1-methylcyclopropyl]acetate

2-[(1S)-2,2-dibromo-1-methylcyclopropyl]acetate (PubChem CID 6984505) has the molecular formula C6H7Br2O2- and a molecular weight of 270.93 g/mol. Its IUPAC name is 2-[(1S)-2,2-dibromo-1-methylcyclopropyl]acetate.

Molecular Properties

Compound Name2-[(1S)-2,2-dibromo-1-methylcyclopropyl]acetate
PubChem CID6984505
Molecular FormulaC6H7Br2O2-
Molecular Weight270.93 g/mol
Exact Mass268.88
IUPAC Name2-[(1S)-2,2-dibromo-1-methylcyclopropyl]acetate
SMILESC[C@]1(CC(=O)[O-])CC1(Br)Br
InChIInChI=1S/C6H8Br2O2/c1-5(2-4(9)10)3-6(5,7)8/h2-3H2,1H3,(H,9,10)/p-1/t5-/m0/s1
InChIKeyBFZYHZSTXWAZIY-YFKPBYRVSA-M
XLogP1.02
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.93
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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sodium 2-(3-fluorooxetan-3-yl)acetate
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trans-(1S,2S)-1,2-dimethylcyclopropane-1,2-dicarboxylate
CID 6976393
sodium;hydron;triacetate
CID 173121634
iridium;acetate;chloride
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CID 7093191
dipotassium;1,2-dimethylcyclopropane-1,2-dicarboxylate
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CID 86625665
indium(1+);propanoate
CID 101213769

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-2,2-dibromo-1-methylcyclopropyl]acetate?
The IUPAC name of 2-[(1S)-2,2-dibromo-1-methylcyclopropyl]acetate (CID 6984505) is 2-[(1S)-2,2-dibromo-1-methylcyclopropyl]acetate.
What is the SMILES notation for 2-[(1S)-2,2-dibromo-1-methylcyclopropyl]acetate?
The canonical SMILES for 2-[(1S)-2,2-dibromo-1-methylcyclopropyl]acetate is C[C@]1(CC(=O)[O-])CC1(Br)Br.
What is the InChIKey of 2-[(1S)-2,2-dibromo-1-methylcyclopropyl]acetate?
The InChIKey is BFZYHZSTXWAZIY-YFKPBYRVSA-M. The full InChI is InChI=1S/C6H8Br2O2/c1-5(2-4(9)10)3-6(5,7)8/h2-3H2,1H3,(H,9,10)/p-1/t5-/m0/s1.
What are the key properties of 2-[(1S)-2,2-dibromo-1-methylcyclopropyl]acetate?
2-[(1S)-2,2-dibromo-1-methylcyclopropyl]acetate has a molecular weight of 270.93 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-2,2-dibromo-1-methylcyclopropyl]acetate is sourced from PubChem (CID 6984505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).