1-bromo-4-[bromo-(5-fluoro-2-methylphenyl)methyl]naphthalene

C18H13Br2F — CID 79590900

IUPAC1-bromo-4-[bromo-(5-fluoro-2-methylphenyl)methyl]naphthalene
SMILESCc1ccc(F)cc1C(Br)c1ccc(Br)c2ccccc12
InChIInChI=1S/C18H13Br2F/c1-11-6-7-12(21)10-16(11)18(20)15-8-9-17(19)14-5-3-2-4-13(14)15/h2-10,18H,1H3
InChIKeyGXAPERCQYUXLSU-UHFFFAOYSA-N
MW408.11 g/mol
LogP6.53
Rot. Bonds2

About 1-bromo-4-[bromo-(5-fluoro-2-methylphenyl)methyl]naphthalene

1-bromo-4-[bromo-(5-fluoro-2-methylphenyl)methyl]naphthalene (PubChem CID 79590900) has the molecular formula C18H13Br2F and a molecular weight of 408.11 g/mol. Its IUPAC name is 1-bromo-4-[bromo-(5-fluoro-2-methylphenyl)methyl]naphthalene.

Molecular Properties

Compound Name1-bromo-4-[bromo-(5-fluoro-2-methylphenyl)methyl]naphthalene
PubChem CID79590900
Molecular FormulaC18H13Br2F
Molecular Weight408.11 g/mol
Exact Mass405.94
IUPAC Name1-bromo-4-[bromo-(5-fluoro-2-methylphenyl)methyl]naphthalene
SMILESCc1ccc(F)cc1C(Br)c1ccc(Br)c2ccccc12
InChIInChI=1S/C18H13Br2F/c1-11-6-7-12(21)10-16(11)18(20)15-8-9-17(19)14-5-3-2-4-13(14)15/h2-10,18H,1H3
InChIKeyGXAPERCQYUXLSU-UHFFFAOYSA-N
XLogP6.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.11
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-bromo-4-[bromo-(2,4-difluorophenyl)methyl]naphthalene
CID 79590922
1-bromo-4-[bromo-(2,4-dimethylphenyl)methyl]naphthalene
CID 79590884
1-bromo-2-[bromo-(2,5-dimethylphenyl)methyl]-4-fluorobenzene
CID 63441756
1-bromo-4-[bromo-(3-chloro-4-methylphenyl)methyl]naphthalene
CID 79590704
2-[bromo-(4-bromonaphthalen-1-yl)methyl]-3-methylfuran
CID 79597785
1-[bromo-(2,5-dimethylphenyl)methyl]-4-chloronaphthalene
CID 79592838
1-bromo-4-[bromo-(3,5-dibromophenyl)methyl]naphthalene
CID 107980963
1-bromo-2-[bromo-(2,4-difluorophenyl)methyl]-4-fluorobenzene
CID 63442403
2-[bromo-(2-bromo-5-fluorophenyl)methyl]-5-fluoro-1,3-dimethylbenzene
CID 106879985
(2,5-dibromophenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 63048420
1-[bromo-(2-bromo-4-fluorophenyl)methyl]-2,4-dimethylbenzene
CID 63438862
1-bromo-4-[chloro-(2-fluoro-3-methylphenyl)methyl]naphthalene
CID 81482247

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[bromo-(5-fluoro-2-methylphenyl)methyl]naphthalene?
The IUPAC name of 1-bromo-4-[bromo-(5-fluoro-2-methylphenyl)methyl]naphthalene (CID 79590900) is 1-bromo-4-[bromo-(5-fluoro-2-methylphenyl)methyl]naphthalene.
What is the SMILES notation for 1-bromo-4-[bromo-(5-fluoro-2-methylphenyl)methyl]naphthalene?
The canonical SMILES for 1-bromo-4-[bromo-(5-fluoro-2-methylphenyl)methyl]naphthalene is Cc1ccc(F)cc1C(Br)c1ccc(Br)c2ccccc12.
What is the InChIKey of 1-bromo-4-[bromo-(5-fluoro-2-methylphenyl)methyl]naphthalene?
The InChIKey is GXAPERCQYUXLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Br2F/c1-11-6-7-12(21)10-16(11)18(20)15-8-9-17(19)14-5-3-2-4-13(14)15/h2-10,18H,1H3.
What are the key properties of 1-bromo-4-[bromo-(5-fluoro-2-methylphenyl)methyl]naphthalene?
1-bromo-4-[bromo-(5-fluoro-2-methylphenyl)methyl]naphthalene has a molecular weight of 408.11 g/mol, XLogP of 6.53, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[bromo-(5-fluoro-2-methylphenyl)methyl]naphthalene is sourced from PubChem (CID 79590900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).