5-bromo-2-(dichloromethyl)-1-(difluoromethyl)naphthalene

C12H7BrCl2F2 — CID 18462383

IUPAC5-bromo-2-(dichloromethyl)-1-(difluoromethyl)naphthalene
SMILESFC(F)c1c(C(Cl)Cl)ccc2c(Br)cccc12
InChIInChI=1S/C12H7BrCl2F2/c13-9-3-1-2-7-6(9)4-5-8(11(14)15)10(7)12(16)17/h1-5,11-12H
InChIKeyUMYQPZHCWZFCMT-UHFFFAOYSA-N
MW339.99 g/mol
LogP6.02
Rot. Bonds2

About 5-bromo-2-(dichloromethyl)-1-(difluoromethyl)naphthalene

5-bromo-2-(dichloromethyl)-1-(difluoromethyl)naphthalene (PubChem CID 18462383) has the molecular formula C12H7BrCl2F2 and a molecular weight of 339.99 g/mol. Its IUPAC name is 5-bromo-2-(dichloromethyl)-1-(difluoromethyl)naphthalene.

Molecular Properties

Compound Name5-bromo-2-(dichloromethyl)-1-(difluoromethyl)naphthalene
PubChem CID18462383
Molecular FormulaC12H7BrCl2F2
Molecular Weight339.99 g/mol
Exact Mass337.91
IUPAC Name5-bromo-2-(dichloromethyl)-1-(difluoromethyl)naphthalene
SMILESFC(F)c1c(C(Cl)Cl)ccc2c(Br)cccc12
InChIInChI=1S/C12H7BrCl2F2/c13-9-3-1-2-7-6(9)4-5-8(11(14)15)10(7)12(16)17/h1-5,11-12H
InChIKeyUMYQPZHCWZFCMT-UHFFFAOYSA-N
XLogP6.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.99
LogP ≤ 56.02
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 5-bromo-2-(dichloromethyl)-1-(difluoromethyl)naphthalene?
The IUPAC name of 5-bromo-2-(dichloromethyl)-1-(difluoromethyl)naphthalene (CID 18462383) is 5-bromo-2-(dichloromethyl)-1-(difluoromethyl)naphthalene.
What is the SMILES notation for 5-bromo-2-(dichloromethyl)-1-(difluoromethyl)naphthalene?
The canonical SMILES for 5-bromo-2-(dichloromethyl)-1-(difluoromethyl)naphthalene is FC(F)c1c(C(Cl)Cl)ccc2c(Br)cccc12.
What is the InChIKey of 5-bromo-2-(dichloromethyl)-1-(difluoromethyl)naphthalene?
The InChIKey is UMYQPZHCWZFCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrCl2F2/c13-9-3-1-2-7-6(9)4-5-8(11(14)15)10(7)12(16)17/h1-5,11-12H.
What are the key properties of 5-bromo-2-(dichloromethyl)-1-(difluoromethyl)naphthalene?
5-bromo-2-(dichloromethyl)-1-(difluoromethyl)naphthalene has a molecular weight of 339.99 g/mol, XLogP of 6.02, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(dichloromethyl)-1-(difluoromethyl)naphthalene is sourced from PubChem (CID 18462383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).