(2S)-2-(2,2-dibromoethenyl)-1,1-dimethylcyclopropane

C7H10Br2 — CID 88596820

IUPAC(2S)-2-(2,2-dibromoethenyl)-1,1-dimethylcyclopropane
SMILESCC1(C)C[C@H]1C=C(Br)Br
InChIInChI=1S/C7H10Br2/c1-7(2)4-5(7)3-6(8)9/h3,5H,4H2,1-2H3/t5-/m1/s1
InChIKeyAJGDRDUWEWODJP-RXMQYKEDSA-N
MW253.96 g/mol
LogP3.66
Rot. Bonds1

About (2S)-2-(2,2-dibromoethenyl)-1,1-dimethylcyclopropane

(2S)-2-(2,2-dibromoethenyl)-1,1-dimethylcyclopropane (PubChem CID 88596820) has the molecular formula C7H10Br2 and a molecular weight of 253.96 g/mol. Its IUPAC name is (2S)-2-(2,2-dibromoethenyl)-1,1-dimethylcyclopropane.

Molecular Properties

Compound Name(2S)-2-(2,2-dibromoethenyl)-1,1-dimethylcyclopropane
PubChem CID88596820
Molecular FormulaC7H10Br2
Molecular Weight253.96 g/mol
Exact Mass251.91
IUPAC Name(2S)-2-(2,2-dibromoethenyl)-1,1-dimethylcyclopropane
SMILESCC1(C)C[C@H]1C=C(Br)Br
InChIInChI=1S/C7H10Br2/c1-7(2)4-5(7)3-6(8)9/h3,5H,4H2,1-2H3/t5-/m1/s1
InChIKeyAJGDRDUWEWODJP-RXMQYKEDSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.96
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,2-dibromoethenyl)-1,1-dimethylcyclopropane?
The IUPAC name of (2S)-2-(2,2-dibromoethenyl)-1,1-dimethylcyclopropane (CID 88596820) is (2S)-2-(2,2-dibromoethenyl)-1,1-dimethylcyclopropane.
What is the SMILES notation for (2S)-2-(2,2-dibromoethenyl)-1,1-dimethylcyclopropane?
The canonical SMILES for (2S)-2-(2,2-dibromoethenyl)-1,1-dimethylcyclopropane is CC1(C)C[C@H]1C=C(Br)Br.
What is the InChIKey of (2S)-2-(2,2-dibromoethenyl)-1,1-dimethylcyclopropane?
The InChIKey is AJGDRDUWEWODJP-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H10Br2/c1-7(2)4-5(7)3-6(8)9/h3,5H,4H2,1-2H3/t5-/m1/s1.
What are the key properties of (2S)-2-(2,2-dibromoethenyl)-1,1-dimethylcyclopropane?
(2S)-2-(2,2-dibromoethenyl)-1,1-dimethylcyclopropane has a molecular weight of 253.96 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,2-dibromoethenyl)-1,1-dimethylcyclopropane is sourced from PubChem (CID 88596820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).