1-[chloro-(3,5-dibromophenyl)methyl]-4-fluoronaphthalene

C17H10Br2ClF — CID 107980937

IUPAC1-[chloro-(3,5-dibromophenyl)methyl]-4-fluoronaphthalene
SMILESFc1ccc(C(Cl)c2cc(Br)cc(Br)c2)c2ccccc12
InChIInChI=1S/C17H10Br2ClF/c18-11-7-10(8-12(19)9-11)17(20)15-5-6-16(21)14-4-2-1-3-13(14)15/h1-9,17H
InChIKeyXVOXFDJLBABZKZ-UHFFFAOYSA-N
MW428.53 g/mol
LogP6.83
Rot. Bonds2

About 1-[chloro-(3,5-dibromophenyl)methyl]-4-fluoronaphthalene

1-[chloro-(3,5-dibromophenyl)methyl]-4-fluoronaphthalene (PubChem CID 107980937) has the molecular formula C17H10Br2ClF and a molecular weight of 428.53 g/mol. Its IUPAC name is 1-[chloro-(3,5-dibromophenyl)methyl]-4-fluoronaphthalene.

Molecular Properties

Compound Name1-[chloro-(3,5-dibromophenyl)methyl]-4-fluoronaphthalene
PubChem CID107980937
Molecular FormulaC17H10Br2ClF
Molecular Weight428.53 g/mol
Exact Mass425.88
IUPAC Name1-[chloro-(3,5-dibromophenyl)methyl]-4-fluoronaphthalene
SMILESFc1ccc(C(Cl)c2cc(Br)cc(Br)c2)c2ccccc12
InChIInChI=1S/C17H10Br2ClF/c18-11-7-10(8-12(19)9-11)17(20)15-5-6-16(21)14-4-2-1-3-13(14)15/h1-9,17H
InChIKeyXVOXFDJLBABZKZ-UHFFFAOYSA-N
XLogP6.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.53
LogP ≤ 56.83
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-[chloro-(3,5-dibromophenyl)methyl]naphthalene
CID 107980964
1-bromo-4-[(3-bromo-4-fluorophenyl)-chloromethyl]naphthalene
CID 107958992
1-bromo-4-[chloro-(4-chlorophenyl)methyl]naphthalene
CID 79597714
1-bromo-3-[chloro-(2,4-dichlorophenyl)methyl]-5-fluorobenzene
CID 63444025
1-[chloro-(3-chloro-4-fluorophenyl)methyl]-4-methylnaphthalene
CID 82876216
1-bromo-3-[chloro-(2,5-difluorophenyl)methyl]-5-fluorobenzene
CID 63430531
1-chloro-4-[chloro-(4-chloro-3-fluorophenyl)methyl]naphthalene
CID 107991970
2,2-dichloro-1-(4-fluoronaphthalen-1-yl)ethanol
CID 164892255
1-[chloro-(3,5-dibromophenyl)methyl]-2,4-difluoro-5-methylbenzene
CID 114023654
1-bromo-4-[chloro-(3-chlorophenyl)methyl]naphthalene
CID 79597875
(4-bromo-3-chlorophenyl)-(4-fluoronaphthalen-1-yl)methanamine
CID 81291033
1-chloro-4-[chloro-(5-chloro-2-fluorophenyl)methyl]naphthalene
CID 79592824

Frequently Asked Questions

What is the IUPAC name of 1-[chloro-(3,5-dibromophenyl)methyl]-4-fluoronaphthalene?
The IUPAC name of 1-[chloro-(3,5-dibromophenyl)methyl]-4-fluoronaphthalene (CID 107980937) is 1-[chloro-(3,5-dibromophenyl)methyl]-4-fluoronaphthalene.
What is the SMILES notation for 1-[chloro-(3,5-dibromophenyl)methyl]-4-fluoronaphthalene?
The canonical SMILES for 1-[chloro-(3,5-dibromophenyl)methyl]-4-fluoronaphthalene is Fc1ccc(C(Cl)c2cc(Br)cc(Br)c2)c2ccccc12.
What is the InChIKey of 1-[chloro-(3,5-dibromophenyl)methyl]-4-fluoronaphthalene?
The InChIKey is XVOXFDJLBABZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Br2ClF/c18-11-7-10(8-12(19)9-11)17(20)15-5-6-16(21)14-4-2-1-3-13(14)15/h1-9,17H.
What are the key properties of 1-[chloro-(3,5-dibromophenyl)methyl]-4-fluoronaphthalene?
1-[chloro-(3,5-dibromophenyl)methyl]-4-fluoronaphthalene has a molecular weight of 428.53 g/mol, XLogP of 6.83, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro-(3,5-dibromophenyl)methyl]-4-fluoronaphthalene is sourced from PubChem (CID 107980937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).