2-(chloromethyl)-2-[(2,5-dichlorophenyl)methyl]bicyclo[2.2.1]heptane

C15H17Cl3 — CID 66035522

IUPAC2-(chloromethyl)-2-[(2,5-dichlorophenyl)methyl]bicyclo[2.2.1]heptane
SMILESClCC1(Cc2cc(Cl)ccc2Cl)CC2CCC1C2
InChIInChI=1S/C15H17Cl3/c16-9-15(7-10-1-2-12(15)5-10)8-11-6-13(17)3-4-14(11)18/h3-4,6,10,12H,1-2,5,7-9H2
InChIKeyURGKDHXZJCXOLZ-UHFFFAOYSA-N
MW303.66 g/mol
LogP5.58
Rot. Bonds3

About 2-(chloromethyl)-2-[(2,5-dichlorophenyl)methyl]bicyclo[2.2.1]heptane

2-(chloromethyl)-2-[(2,5-dichlorophenyl)methyl]bicyclo[2.2.1]heptane (PubChem CID 66035522) has the molecular formula C15H17Cl3 and a molecular weight of 303.66 g/mol. Its IUPAC name is 2-(chloromethyl)-2-[(2,5-dichlorophenyl)methyl]bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(chloromethyl)-2-[(2,5-dichlorophenyl)methyl]bicyclo[2.2.1]heptane
PubChem CID66035522
Molecular FormulaC15H17Cl3
Molecular Weight303.66 g/mol
Exact Mass302.04
IUPAC Name2-(chloromethyl)-2-[(2,5-dichlorophenyl)methyl]bicyclo[2.2.1]heptane
SMILESClCC1(Cc2cc(Cl)ccc2Cl)CC2CCC1C2
InChIInChI=1S/C15H17Cl3/c16-9-15(7-10-1-2-12(15)5-10)8-11-6-13(17)3-4-14(11)18/h3-4,6,10,12H,1-2,5,7-9H2
InChIKeyURGKDHXZJCXOLZ-UHFFFAOYSA-N
XLogP5.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.66
LogP ≤ 55.58
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 2-(chloromethyl)-2-[(2,5-dichlorophenyl)methyl]bicyclo[2.2.1]heptane?
The IUPAC name of 2-(chloromethyl)-2-[(2,5-dichlorophenyl)methyl]bicyclo[2.2.1]heptane (CID 66035522) is 2-(chloromethyl)-2-[(2,5-dichlorophenyl)methyl]bicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(chloromethyl)-2-[(2,5-dichlorophenyl)methyl]bicyclo[2.2.1]heptane?
The canonical SMILES for 2-(chloromethyl)-2-[(2,5-dichlorophenyl)methyl]bicyclo[2.2.1]heptane is ClCC1(Cc2cc(Cl)ccc2Cl)CC2CCC1C2.
What is the InChIKey of 2-(chloromethyl)-2-[(2,5-dichlorophenyl)methyl]bicyclo[2.2.1]heptane?
The InChIKey is URGKDHXZJCXOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl3/c16-9-15(7-10-1-2-12(15)5-10)8-11-6-13(17)3-4-14(11)18/h3-4,6,10,12H,1-2,5,7-9H2.
What are the key properties of 2-(chloromethyl)-2-[(2,5-dichlorophenyl)methyl]bicyclo[2.2.1]heptane?
2-(chloromethyl)-2-[(2,5-dichlorophenyl)methyl]bicyclo[2.2.1]heptane has a molecular weight of 303.66 g/mol, XLogP of 5.58, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-2-[(2,5-dichlorophenyl)methyl]bicyclo[2.2.1]heptane is sourced from PubChem (CID 66035522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).