1,1-dichloro-2-[(2,2-dichlorocyclopropyl)methylsulfonylmethyl]cyclopropane

C8H10Cl4O2S — CID 3526943

IUPAC1,1-dichloro-2-[(2,2-dichlorocyclopropyl)methylsulfonylmethyl]cyclopropane
SMILESO=S(=O)(CC1CC1(Cl)Cl)CC1CC1(Cl)Cl
InChIInChI=1S/C8H10Cl4O2S/c9-7(10)1-5(7)3-15(13,14)4-6-2-8(6,11)12/h5-6H,1-4H2
InChIKeyHCHRVSLOUYCOSJ-UHFFFAOYSA-N
MW312.05 g/mol
LogP2.79
Rot. Bonds4

About 1,1-dichloro-2-[(2,2-dichlorocyclopropyl)methylsulfonylmethyl]cyclopropane

1,1-dichloro-2-[(2,2-dichlorocyclopropyl)methylsulfonylmethyl]cyclopropane (PubChem CID 3526943) has the molecular formula C8H10Cl4O2S and a molecular weight of 312.05 g/mol. Its IUPAC name is 1,1-dichloro-2-[(2,2-dichlorocyclopropyl)methylsulfonylmethyl]cyclopropane.

Molecular Properties

Compound Name1,1-dichloro-2-[(2,2-dichlorocyclopropyl)methylsulfonylmethyl]cyclopropane
PubChem CID3526943
Molecular FormulaC8H10Cl4O2S
Molecular Weight312.05 g/mol
Exact Mass309.92
IUPAC Name1,1-dichloro-2-[(2,2-dichlorocyclopropyl)methylsulfonylmethyl]cyclopropane
SMILESO=S(=O)(CC1CC1(Cl)Cl)CC1CC1(Cl)Cl
InChIInChI=1S/C8H10Cl4O2S/c9-7(10)1-5(7)3-15(13,14)4-6-2-8(6,11)12/h5-6H,1-4H2
InChIKeyHCHRVSLOUYCOSJ-UHFFFAOYSA-N
XLogP2.79
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.05
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1,1-dichloro-2-[(2,2-dichlorocyclopropyl)methylsulfonylmethyl]cyclopropane?
The IUPAC name of 1,1-dichloro-2-[(2,2-dichlorocyclopropyl)methylsulfonylmethyl]cyclopropane (CID 3526943) is 1,1-dichloro-2-[(2,2-dichlorocyclopropyl)methylsulfonylmethyl]cyclopropane.
What is the SMILES notation for 1,1-dichloro-2-[(2,2-dichlorocyclopropyl)methylsulfonylmethyl]cyclopropane?
The canonical SMILES for 1,1-dichloro-2-[(2,2-dichlorocyclopropyl)methylsulfonylmethyl]cyclopropane is O=S(=O)(CC1CC1(Cl)Cl)CC1CC1(Cl)Cl.
What is the InChIKey of 1,1-dichloro-2-[(2,2-dichlorocyclopropyl)methylsulfonylmethyl]cyclopropane?
The InChIKey is HCHRVSLOUYCOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl4O2S/c9-7(10)1-5(7)3-15(13,14)4-6-2-8(6,11)12/h5-6H,1-4H2.
What are the key properties of 1,1-dichloro-2-[(2,2-dichlorocyclopropyl)methylsulfonylmethyl]cyclopropane?
1,1-dichloro-2-[(2,2-dichlorocyclopropyl)methylsulfonylmethyl]cyclopropane has a molecular weight of 312.05 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-2-[(2,2-dichlorocyclopropyl)methylsulfonylmethyl]cyclopropane is sourced from PubChem (CID 3526943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).