1-bromo-4-[(3-bromo-4-fluorophenyl)-chloromethyl]naphthalene

C17H10Br2ClF — CID 107958992

IUPAC1-bromo-4-[(3-bromo-4-fluorophenyl)-chloromethyl]naphthalene
SMILESFc1ccc(C(Cl)c2ccc(Br)c3ccccc23)cc1Br
InChIInChI=1S/C17H10Br2ClF/c18-14-7-6-13(11-3-1-2-4-12(11)14)17(20)10-5-8-16(21)15(19)9-10/h1-9,17H
InChIKeyTUABIJKBQYEPMC-UHFFFAOYSA-N
MW428.53 g/mol
LogP6.83
Rot. Bonds2

About 1-bromo-4-[(3-bromo-4-fluorophenyl)-chloromethyl]naphthalene

1-bromo-4-[(3-bromo-4-fluorophenyl)-chloromethyl]naphthalene (PubChem CID 107958992) has the molecular formula C17H10Br2ClF and a molecular weight of 428.53 g/mol. Its IUPAC name is 1-bromo-4-[(3-bromo-4-fluorophenyl)-chloromethyl]naphthalene.

Molecular Properties

Compound Name1-bromo-4-[(3-bromo-4-fluorophenyl)-chloromethyl]naphthalene
PubChem CID107958992
Molecular FormulaC17H10Br2ClF
Molecular Weight428.53 g/mol
Exact Mass425.88
IUPAC Name1-bromo-4-[(3-bromo-4-fluorophenyl)-chloromethyl]naphthalene
SMILESFc1ccc(C(Cl)c2ccc(Br)c3ccccc23)cc1Br
InChIInChI=1S/C17H10Br2ClF/c18-14-7-6-13(11-3-1-2-4-12(11)14)17(20)10-5-8-16(21)15(19)9-10/h1-9,17H
InChIKeyTUABIJKBQYEPMC-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-(4-chlorophenyl)methyl]naphthalene
CID 79597714
1-bromo-4-[chloro-(3-chlorophenyl)methyl]naphthalene
CID 79597875
1-bromo-4-[chloro-(3,5-dibromophenyl)methyl]naphthalene
CID 107980964
1-bromo-4-[chloro-(3-methoxyphenyl)methyl]naphthalene
CID 79591185
1-bromo-4-[chloro-(2,4-dichlorophenyl)methyl]naphthalene
CID 79591167
1-[chloro-(3,5-dibromophenyl)methyl]-4-fluoronaphthalene
CID 107980937
2-bromo-4-[chloro-(3,4-difluorophenyl)methyl]-1-fluorobenzene
CID 79747375
1-[(3-bromo-4-fluorophenyl)-chloromethyl]-3-chloro-2-fluorobenzene
CID 81263058
1-[(3-bromo-4-fluorophenyl)-chloromethyl]-3-chloro-2,4-dimethoxybenzene
CID 107959175
3-[(4-bromonaphthalen-1-yl)-chloromethyl]thiophene
CID 79597717
1-chloro-4-[chloro-(4-chloro-3-fluorophenyl)methyl]naphthalene
CID 107991970
2-bromo-4-[(3-bromophenyl)-chloromethyl]-1-fluorobenzene
CID 79747210

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(3-bromo-4-fluorophenyl)-chloromethyl]naphthalene?
The IUPAC name of 1-bromo-4-[(3-bromo-4-fluorophenyl)-chloromethyl]naphthalene (CID 107958992) is 1-bromo-4-[(3-bromo-4-fluorophenyl)-chloromethyl]naphthalene.
What is the SMILES notation for 1-bromo-4-[(3-bromo-4-fluorophenyl)-chloromethyl]naphthalene?
The canonical SMILES for 1-bromo-4-[(3-bromo-4-fluorophenyl)-chloromethyl]naphthalene is Fc1ccc(C(Cl)c2ccc(Br)c3ccccc23)cc1Br.
What is the InChIKey of 1-bromo-4-[(3-bromo-4-fluorophenyl)-chloromethyl]naphthalene?
The InChIKey is TUABIJKBQYEPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Br2ClF/c18-14-7-6-13(11-3-1-2-4-12(11)14)17(20)10-5-8-16(21)15(19)9-10/h1-9,17H.
What are the key properties of 1-bromo-4-[(3-bromo-4-fluorophenyl)-chloromethyl]naphthalene?
1-bromo-4-[(3-bromo-4-fluorophenyl)-chloromethyl]naphthalene 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-bromo-4-[(3-bromo-4-fluorophenyl)-chloromethyl]naphthalene is sourced from PubChem (CID 107958992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).