(2S,3S,5S,6S)-2,3,5,6-tetrachloro-1-(chloromethyl)-7-(dichloromethyl)-7-methylbicyclo[2.2.1]heptane

C10H11Cl7 — CID 101100157

IUPAC(2S,3S,5S,6S)-2,3,5,6-tetrachloro-1-(chloromethyl)-7-(dichloromethyl)-7-methylbicyclo[2.2.1]heptane
SMILESCC1(C(Cl)Cl)C2[C@H](Cl)[C@@H](Cl)C1(CCl)[C@H](Cl)[C@H]2Cl
InChIInChI=1S/C10H11Cl7/c1-9(8(16)17)3-4(12)6(14)10(9,2-11)7(15)5(3)13/h3-8H,2H2,1H3/t3?,4-,5-,6+,7+,9?,10?/m0/s1
InChIKeySDCXLLCDYMPYTJ-KGWZEDDPSA-N
MW379.37 g/mol
LogP5.09
Rot. Bonds2

About (2S,3S,5S,6S)-2,3,5,6-tetrachloro-1-(chloromethyl)-7-(dichloromethyl)-7-methylbicyclo[2.2.1]heptane

(2S,3S,5S,6S)-2,3,5,6-tetrachloro-1-(chloromethyl)-7-(dichloromethyl)-7-methylbicyclo[2.2.1]heptane (PubChem CID 101100157) has the molecular formula C10H11Cl7 and a molecular weight of 379.37 g/mol. Its IUPAC name is (2S,3S,5S,6S)-2,3,5,6-tetrachloro-1-(chloromethyl)-7-(dichloromethyl)-7-methylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(2S,3S,5S,6S)-2,3,5,6-tetrachloro-1-(chloromethyl)-7-(dichloromethyl)-7-methylbicyclo[2.2.1]heptane
PubChem CID101100157
Molecular FormulaC10H11Cl7
Molecular Weight379.37 g/mol
Exact Mass375.87
IUPAC Name(2S,3S,5S,6S)-2,3,5,6-tetrachloro-1-(chloromethyl)-7-(dichloromethyl)-7-methylbicyclo[2.2.1]heptane
SMILESCC1(C(Cl)Cl)C2[C@H](Cl)[C@@H](Cl)C1(CCl)[C@H](Cl)[C@H]2Cl
InChIInChI=1S/C10H11Cl7/c1-9(8(16)17)3-4(12)6(14)10(9,2-11)7(15)5(3)13/h3-8H,2H2,1H3/t3?,4-,5-,6+,7+,9?,10?/m0/s1
InChIKeySDCXLLCDYMPYTJ-KGWZEDDPSA-N
XLogP5.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.37
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 (2S,3S,5S,6S)-2,3,5,6-tetrachloro-1-(chloromethyl)-7-(dichloromethyl)-7-methylbicyclo[2.2.1]heptane?
The IUPAC name of (2S,3S,5S,6S)-2,3,5,6-tetrachloro-1-(chloromethyl)-7-(dichloromethyl)-7-methylbicyclo[2.2.1]heptane (CID 101100157) is (2S,3S,5S,6S)-2,3,5,6-tetrachloro-1-(chloromethyl)-7-(dichloromethyl)-7-methylbicyclo[2.2.1]heptane.
What is the SMILES notation for (2S,3S,5S,6S)-2,3,5,6-tetrachloro-1-(chloromethyl)-7-(dichloromethyl)-7-methylbicyclo[2.2.1]heptane?
The canonical SMILES for (2S,3S,5S,6S)-2,3,5,6-tetrachloro-1-(chloromethyl)-7-(dichloromethyl)-7-methylbicyclo[2.2.1]heptane is CC1(C(Cl)Cl)C2[C@H](Cl)[C@@H](Cl)C1(CCl)[C@H](Cl)[C@H]2Cl.
What is the InChIKey of (2S,3S,5S,6S)-2,3,5,6-tetrachloro-1-(chloromethyl)-7-(dichloromethyl)-7-methylbicyclo[2.2.1]heptane?
The InChIKey is SDCXLLCDYMPYTJ-KGWZEDDPSA-N. The full InChI is InChI=1S/C10H11Cl7/c1-9(8(16)17)3-4(12)6(14)10(9,2-11)7(15)5(3)13/h3-8H,2H2,1H3/t3?,4-,5-,6+,7+,9?,10?/m0/s1.
What are the key properties of (2S,3S,5S,6S)-2,3,5,6-tetrachloro-1-(chloromethyl)-7-(dichloromethyl)-7-methylbicyclo[2.2.1]heptane?
(2S,3S,5S,6S)-2,3,5,6-tetrachloro-1-(chloromethyl)-7-(dichloromethyl)-7-methylbicyclo[2.2.1]heptane has a molecular weight of 379.37 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5S,6S)-2,3,5,6-tetrachloro-1-(chloromethyl)-7-(dichloromethyl)-7-methylbicyclo[2.2.1]heptane is sourced from PubChem (CID 101100157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).