(6Z)-2,2,3-trichloro-5,5-bis(chloromethyl)-6-(chloromethylidene)bicyclo[2.2.1]heptane

C10H10Cl6 — CID 5375921

IUPAC(6Z)-2,2,3-trichloro-5,5-bis(chloromethyl)-6-(chloromethylidene)bicyclo[2.2.1]heptane
SMILESCl/C=C1/C2CC(C(Cl)C2(Cl)Cl)C1(CCl)CCl
InChIInChI=1S/C10H10Cl6/c11-2-7-5-1-6(8(14)10(5,15)16)9(7,3-12)4-13/h2,5-6,8H,1,3-4H2/b7-2-
InChIKeyUCEQMZNYZROTLW-UQCOIBPSSA-N
MW342.91 g/mol
LogP5.00
Rot. Bonds2

About (6Z)-2,2,3-trichloro-5,5-bis(chloromethyl)-6-(chloromethylidene)bicyclo[2.2.1]heptane

(6Z)-2,2,3-trichloro-5,5-bis(chloromethyl)-6-(chloromethylidene)bicyclo[2.2.1]heptane (PubChem CID 5375921) has the molecular formula C10H10Cl6 and a molecular weight of 342.91 g/mol. Its IUPAC name is (6Z)-2,2,3-trichloro-5,5-bis(chloromethyl)-6-(chloromethylidene)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(6Z)-2,2,3-trichloro-5,5-bis(chloromethyl)-6-(chloromethylidene)bicyclo[2.2.1]heptane
PubChem CID5375921
Molecular FormulaC10H10Cl6
Molecular Weight342.91 g/mol
Exact Mass339.89
IUPAC Name(6Z)-2,2,3-trichloro-5,5-bis(chloromethyl)-6-(chloromethylidene)bicyclo[2.2.1]heptane
SMILESCl/C=C1/C2CC(C(Cl)C2(Cl)Cl)C1(CCl)CCl
InChIInChI=1S/C10H10Cl6/c11-2-7-5-1-6(8(14)10(5,15)16)9(7,3-12)4-13/h2,5-6,8H,1,3-4H2/b7-2-
InChIKeyUCEQMZNYZROTLW-UQCOIBPSSA-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 (6Z)-2,2,3-trichloro-5,5-bis(chloromethyl)-6-(chloromethylidene)bicyclo[2.2.1]heptane?
The IUPAC name of (6Z)-2,2,3-trichloro-5,5-bis(chloromethyl)-6-(chloromethylidene)bicyclo[2.2.1]heptane (CID 5375921) is (6Z)-2,2,3-trichloro-5,5-bis(chloromethyl)-6-(chloromethylidene)bicyclo[2.2.1]heptane.
What is the SMILES notation for (6Z)-2,2,3-trichloro-5,5-bis(chloromethyl)-6-(chloromethylidene)bicyclo[2.2.1]heptane?
The canonical SMILES for (6Z)-2,2,3-trichloro-5,5-bis(chloromethyl)-6-(chloromethylidene)bicyclo[2.2.1]heptane is Cl/C=C1/C2CC(C(Cl)C2(Cl)Cl)C1(CCl)CCl.
What is the InChIKey of (6Z)-2,2,3-trichloro-5,5-bis(chloromethyl)-6-(chloromethylidene)bicyclo[2.2.1]heptane?
The InChIKey is UCEQMZNYZROTLW-UQCOIBPSSA-N. The full InChI is InChI=1S/C10H10Cl6/c11-2-7-5-1-6(8(14)10(5,15)16)9(7,3-12)4-13/h2,5-6,8H,1,3-4H2/b7-2-.
What are the key properties of (6Z)-2,2,3-trichloro-5,5-bis(chloromethyl)-6-(chloromethylidene)bicyclo[2.2.1]heptane?
(6Z)-2,2,3-trichloro-5,5-bis(chloromethyl)-6-(chloromethylidene)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 (6Z)-2,2,3-trichloro-5,5-bis(chloromethyl)-6-(chloromethylidene)bicyclo[2.2.1]heptane is sourced from PubChem (CID 5375921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).