1,3-bis(trichloromethyl)naphthalene

C12H6Cl6 — CID 21412931

IUPAC1,3-bis(trichloromethyl)naphthalene
SMILESClC(Cl)(Cl)c1cc(C(Cl)(Cl)Cl)c2ccccc2c1
InChIInChI=1S/C12H6Cl6/c13-11(14,15)8-5-7-3-1-2-4-9(7)10(6-8)12(16,17)18/h1-6H
InChIKeyNQVKVZMFFPUKFW-UHFFFAOYSA-N
MW362.90 g/mol
LogP6.49
Rot. Bonds

About 1,3-bis(trichloromethyl)naphthalene

1,3-bis(trichloromethyl)naphthalene (PubChem CID 21412931) has the molecular formula C12H6Cl6 and a molecular weight of 362.90 g/mol. Its IUPAC name is 1,3-bis(trichloromethyl)naphthalene.

Molecular Properties

Compound Name1,3-bis(trichloromethyl)naphthalene
PubChem CID21412931
Molecular FormulaC12H6Cl6
Molecular Weight362.90 g/mol
Exact Mass359.86
IUPAC Name1,3-bis(trichloromethyl)naphthalene
SMILESClC(Cl)(Cl)c1cc(C(Cl)(Cl)Cl)c2ccccc2c1
InChIInChI=1S/C12H6Cl6/c13-11(14,15)8-5-7-3-1-2-4-9(7)10(6-8)12(16,17)18/h1-6H
InChIKeyNQVKVZMFFPUKFW-UHFFFAOYSA-N
XLogP6.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.90
LogP ≤ 56.49
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 1,3-bis(trichloromethyl)naphthalene?
The IUPAC name of 1,3-bis(trichloromethyl)naphthalene (CID 21412931) is 1,3-bis(trichloromethyl)naphthalene.
What is the SMILES notation for 1,3-bis(trichloromethyl)naphthalene?
The canonical SMILES for 1,3-bis(trichloromethyl)naphthalene is ClC(Cl)(Cl)c1cc(C(Cl)(Cl)Cl)c2ccccc2c1.
What is the InChIKey of 1,3-bis(trichloromethyl)naphthalene?
The InChIKey is NQVKVZMFFPUKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl6/c13-11(14,15)8-5-7-3-1-2-4-9(7)10(6-8)12(16,17)18/h1-6H.
What are the key properties of 1,3-bis(trichloromethyl)naphthalene?
1,3-bis(trichloromethyl)naphthalene has a molecular weight of 362.90 g/mol, XLogP of 6.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(trichloromethyl)naphthalene is sourced from PubChem (CID 21412931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).