(3Z,5R,6R)-5,6,7-trichloro-2,2-bis(chloromethyl)-3-(chloromethylidene)bicyclo[2.2.1]heptane

C10H10Cl6 — CID 91751017

IUPAC(3Z,5R,6R)-5,6,7-trichloro-2,2-bis(chloromethyl)-3-(chloromethylidene)bicyclo[2.2.1]heptane
SMILESCl/C=C1/C2C(Cl)C([C@@H](Cl)[C@@H]2Cl)C1(CCl)CCl
InChIInChI=1S/C10H10Cl6/c11-1-4-5-7(14)6(9(16)8(5)15)10(4,2-12)3-13/h1,5-9H,2-3H2/b4-1-/t5?,6?,7?,8-,9-/m1/s1
InChIKeyZVFPHFFHNKPTFM-LMMFWUBTSA-N
MW342.91 g/mol
LogP4.65
Rot. Bonds2

About (3Z,5R,6R)-5,6,7-trichloro-2,2-bis(chloromethyl)-3-(chloromethylidene)bicyclo[2.2.1]heptane

(3Z,5R,6R)-5,6,7-trichloro-2,2-bis(chloromethyl)-3-(chloromethylidene)bicyclo[2.2.1]heptane (PubChem CID 91751017) has the molecular formula C10H10Cl6 and a molecular weight of 342.91 g/mol. Its IUPAC name is (3Z,5R,6R)-5,6,7-trichloro-2,2-bis(chloromethyl)-3-(chloromethylidene)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(3Z,5R,6R)-5,6,7-trichloro-2,2-bis(chloromethyl)-3-(chloromethylidene)bicyclo[2.2.1]heptane
PubChem CID91751017
Molecular FormulaC10H10Cl6
Molecular Weight342.91 g/mol
Exact Mass339.89
IUPAC Name(3Z,5R,6R)-5,6,7-trichloro-2,2-bis(chloromethyl)-3-(chloromethylidene)bicyclo[2.2.1]heptane
SMILESCl/C=C1/C2C(Cl)C([C@@H](Cl)[C@@H]2Cl)C1(CCl)CCl
InChIInChI=1S/C10H10Cl6/c11-1-4-5-7(14)6(9(16)8(5)15)10(4,2-12)3-13/h1,5-9H,2-3H2/b4-1-/t5?,6?,7?,8-,9-/m1/s1
InChIKeyZVFPHFFHNKPTFM-LMMFWUBTSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.91
LogP ≤ 54.65
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)-5,6,7-trichloro-2,2-bis(chloromethyl)-3-(chloromethylidene)bicyclo[2.2.1]heptane?
The IUPAC name of (3Z,5R,6R)-5,6,7-trichloro-2,2-bis(chloromethyl)-3-(chloromethylidene)bicyclo[2.2.1]heptane (CID 91751017) is (3Z,5R,6R)-5,6,7-trichloro-2,2-bis(chloromethyl)-3-(chloromethylidene)bicyclo[2.2.1]heptane.
What is the SMILES notation for (3Z,5R,6R)-5,6,7-trichloro-2,2-bis(chloromethyl)-3-(chloromethylidene)bicyclo[2.2.1]heptane?
The canonical SMILES for (3Z,5R,6R)-5,6,7-trichloro-2,2-bis(chloromethyl)-3-(chloromethylidene)bicyclo[2.2.1]heptane is Cl/C=C1/C2C(Cl)C([C@@H](Cl)[C@@H]2Cl)C1(CCl)CCl.
What is the InChIKey of (3Z,5R,6R)-5,6,7-trichloro-2,2-bis(chloromethyl)-3-(chloromethylidene)bicyclo[2.2.1]heptane?
The InChIKey is ZVFPHFFHNKPTFM-LMMFWUBTSA-N. The full InChI is InChI=1S/C10H10Cl6/c11-1-4-5-7(14)6(9(16)8(5)15)10(4,2-12)3-13/h1,5-9H,2-3H2/b4-1-/t5?,6?,7?,8-,9-/m1/s1.
What are the key properties of (3Z,5R,6R)-5,6,7-trichloro-2,2-bis(chloromethyl)-3-(chloromethylidene)bicyclo[2.2.1]heptane?
(3Z,5R,6R)-5,6,7-trichloro-2,2-bis(chloromethyl)-3-(chloromethylidene)bicyclo[2.2.1]heptane has a molecular weight of 342.91 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5R,6R)-5,6,7-trichloro-2,2-bis(chloromethyl)-3-(chloromethylidene)bicyclo[2.2.1]heptane is sourced from PubChem (CID 91751017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).