1,4-bis[bromo(difluoro)methyl]naphthalene

C12H6Br2F4 — CID 54306020

IUPAC1,4-bis[bromo(difluoro)methyl]naphthalene
SMILESFC(F)(Br)c1ccc(C(F)(F)Br)c2ccccc12
InChIInChI=1S/C12H6Br2F4/c13-11(15,16)9-5-6-10(12(14,17)18)8-4-2-1-3-7(8)9/h1-6H
InChIKeySHNZMCXKJKSJOX-UHFFFAOYSA-N
MW385.98 g/mol
LogP5.73
Rot. Bonds2

About 1,4-bis[bromo(difluoro)methyl]naphthalene

1,4-bis[bromo(difluoro)methyl]naphthalene (PubChem CID 54306020) has the molecular formula C12H6Br2F4 and a molecular weight of 385.98 g/mol. Its IUPAC name is 1,4-bis[bromo(difluoro)methyl]naphthalene.

Molecular Properties

Compound Name1,4-bis[bromo(difluoro)methyl]naphthalene
PubChem CID54306020
Molecular FormulaC12H6Br2F4
Molecular Weight385.98 g/mol
Exact Mass383.88
IUPAC Name1,4-bis[bromo(difluoro)methyl]naphthalene
SMILESFC(F)(Br)c1ccc(C(F)(F)Br)c2ccccc12
InChIInChI=1S/C12H6Br2F4/c13-11(15,16)9-5-6-10(12(14,17)18)8-4-2-1-3-7(8)9/h1-6H
InChIKeySHNZMCXKJKSJOX-UHFFFAOYSA-N
XLogP5.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.98
LogP ≤ 55.73
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 1,4-bis[bromo(difluoro)methyl]naphthalene?
The IUPAC name of 1,4-bis[bromo(difluoro)methyl]naphthalene (CID 54306020) is 1,4-bis[bromo(difluoro)methyl]naphthalene.
What is the SMILES notation for 1,4-bis[bromo(difluoro)methyl]naphthalene?
The canonical SMILES for 1,4-bis[bromo(difluoro)methyl]naphthalene is FC(F)(Br)c1ccc(C(F)(F)Br)c2ccccc12.
What is the InChIKey of 1,4-bis[bromo(difluoro)methyl]naphthalene?
The InChIKey is SHNZMCXKJKSJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Br2F4/c13-11(15,16)9-5-6-10(12(14,17)18)8-4-2-1-3-7(8)9/h1-6H.
What are the key properties of 1,4-bis[bromo(difluoro)methyl]naphthalene?
1,4-bis[bromo(difluoro)methyl]naphthalene has a molecular weight of 385.98 g/mol, XLogP of 5.73, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[bromo(difluoro)methyl]naphthalene is sourced from PubChem (CID 54306020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).