(3Z,5R,6R)-5,6-dichloro-2-(chloromethyl)-3-(chloromethylidene)-2-(dichloromethyl)bicyclo[2.2.1]heptane

C10H10Cl6 — CID 91751018

IUPAC(3Z,5R,6R)-5,6-dichloro-2-(chloromethyl)-3-(chloromethylidene)-2-(dichloromethyl)bicyclo[2.2.1]heptane
SMILESCl/C=C1/C2CC([C@@H](Cl)[C@@H]2Cl)C1(CCl)C(Cl)Cl
InChIInChI=1S/C10H10Cl6/c11-2-6-4-1-5(8(14)7(4)13)10(6,3-12)9(15)16/h2,4-5,7-9H,1,3H2/b6-2-/t4?,5?,7-,8-,10?/m1/s1
InChIKeyRKZDFGCWYYCUHL-MIMWBEBVSA-N
MW342.91 g/mol
LogP5.00
Rot. Bonds2

About (3Z,5R,6R)-5,6-dichloro-2-(chloromethyl)-3-(chloromethylidene)-2-(dichloromethyl)bicyclo[2.2.1]heptane

(3Z,5R,6R)-5,6-dichloro-2-(chloromethyl)-3-(chloromethylidene)-2-(dichloromethyl)bicyclo[2.2.1]heptane (PubChem CID 91751018) has the molecular formula C10H10Cl6 and a molecular weight of 342.91 g/mol. Its IUPAC name is (3Z,5R,6R)-5,6-dichloro-2-(chloromethyl)-3-(chloromethylidene)-2-(dichloromethyl)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(3Z,5R,6R)-5,6-dichloro-2-(chloromethyl)-3-(chloromethylidene)-2-(dichloromethyl)bicyclo[2.2.1]heptane
PubChem CID91751018
Molecular FormulaC10H10Cl6
Molecular Weight342.91 g/mol
Exact Mass339.89
IUPAC Name(3Z,5R,6R)-5,6-dichloro-2-(chloromethyl)-3-(chloromethylidene)-2-(dichloromethyl)bicyclo[2.2.1]heptane
SMILESCl/C=C1/C2CC([C@@H](Cl)[C@@H]2Cl)C1(CCl)C(Cl)Cl
InChIInChI=1S/C10H10Cl6/c11-2-6-4-1-5(8(14)7(4)13)10(6,3-12)9(15)16/h2,4-5,7-9H,1,3H2/b6-2-/t4?,5?,7-,8-,10?/m1/s1
InChIKeyRKZDFGCWYYCUHL-MIMWBEBVSA-N
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.91
LogP ≤ 55.00
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 (3Z,5R,6R)-5,6-dichloro-2-(chloromethyl)-3-(chloromethylidene)-2-(dichloromethyl)bicyclo[2.2.1]heptane?
The IUPAC name of (3Z,5R,6R)-5,6-dichloro-2-(chloromethyl)-3-(chloromethylidene)-2-(dichloromethyl)bicyclo[2.2.1]heptane (CID 91751018) is (3Z,5R,6R)-5,6-dichloro-2-(chloromethyl)-3-(chloromethylidene)-2-(dichloromethyl)bicyclo[2.2.1]heptane.
What is the SMILES notation for (3Z,5R,6R)-5,6-dichloro-2-(chloromethyl)-3-(chloromethylidene)-2-(dichloromethyl)bicyclo[2.2.1]heptane?
The canonical SMILES for (3Z,5R,6R)-5,6-dichloro-2-(chloromethyl)-3-(chloromethylidene)-2-(dichloromethyl)bicyclo[2.2.1]heptane is Cl/C=C1/C2CC([C@@H](Cl)[C@@H]2Cl)C1(CCl)C(Cl)Cl.
What is the InChIKey of (3Z,5R,6R)-5,6-dichloro-2-(chloromethyl)-3-(chloromethylidene)-2-(dichloromethyl)bicyclo[2.2.1]heptane?
The InChIKey is RKZDFGCWYYCUHL-MIMWBEBVSA-N. The full InChI is InChI=1S/C10H10Cl6/c11-2-6-4-1-5(8(14)7(4)13)10(6,3-12)9(15)16/h2,4-5,7-9H,1,3H2/b6-2-/t4?,5?,7-,8-,10?/m1/s1.
What are the key properties of (3Z,5R,6R)-5,6-dichloro-2-(chloromethyl)-3-(chloromethylidene)-2-(dichloromethyl)bicyclo[2.2.1]heptane?
(3Z,5R,6R)-5,6-dichloro-2-(chloromethyl)-3-(chloromethylidene)-2-(dichloromethyl)bicyclo[2.2.1]heptane has a molecular weight of 342.91 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5R,6R)-5,6-dichloro-2-(chloromethyl)-3-(chloromethylidene)-2-(dichloromethyl)bicyclo[2.2.1]heptane is sourced from PubChem (CID 91751018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).