(2S)-1,1-dichloro-2-ethenylcyclopropane

C5H6Cl2 — CID 97046872

IUPAC(2S)-1,1-dichloro-2-ethenylcyclopropane
SMILESC=C[C@@H]1CC1(Cl)Cl
InChIInChI=1S/C5H6Cl2/c1-2-4-3-5(4,6)7/h2,4H,1,3H2/t4-/m1/s1
InChIKeyGAAAGAHNGGKSQH-SCSAIBSYSA-N
MW137.01 g/mol
LogP2.37
Rot. Bonds1

About (2S)-1,1-dichloro-2-ethenylcyclopropane

(2S)-1,1-dichloro-2-ethenylcyclopropane (PubChem CID 97046872) has the molecular formula C5H6Cl2 and a molecular weight of 137.01 g/mol. Its IUPAC name is (2S)-1,1-dichloro-2-ethenylcyclopropane.

Molecular Properties

Compound Name(2S)-1,1-dichloro-2-ethenylcyclopropane
PubChem CID97046872
Molecular FormulaC5H6Cl2
Molecular Weight137.01 g/mol
Exact Mass135.98
IUPAC Name(2S)-1,1-dichloro-2-ethenylcyclopropane
SMILESC=C[C@@H]1CC1(Cl)Cl
InChIInChI=1S/C5H6Cl2/c1-2-4-3-5(4,6)7/h2,4H,1,3H2/t4-/m1/s1
InChIKeyGAAAGAHNGGKSQH-SCSAIBSYSA-N
XLogP2.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.01
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-1,1-dichloro-2-ethenylcyclopropane?
The IUPAC name of (2S)-1,1-dichloro-2-ethenylcyclopropane (CID 97046872) is (2S)-1,1-dichloro-2-ethenylcyclopropane.
What is the SMILES notation for (2S)-1,1-dichloro-2-ethenylcyclopropane?
The canonical SMILES for (2S)-1,1-dichloro-2-ethenylcyclopropane is C=C[C@@H]1CC1(Cl)Cl.
What is the InChIKey of (2S)-1,1-dichloro-2-ethenylcyclopropane?
The InChIKey is GAAAGAHNGGKSQH-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H6Cl2/c1-2-4-3-5(4,6)7/h2,4H,1,3H2/t4-/m1/s1.
What are the key properties of (2S)-1,1-dichloro-2-ethenylcyclopropane?
(2S)-1,1-dichloro-2-ethenylcyclopropane has a molecular weight of 137.01 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1-dichloro-2-ethenylcyclopropane is sourced from PubChem (CID 97046872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).