1-[bromo-(4-chloro-3-fluorophenyl)methyl]-2-methylnaphthalene

C18H13BrClF — CID 107992100

IUPAC1-[bromo-(4-chloro-3-fluorophenyl)methyl]-2-methylnaphthalene
SMILESCc1ccc2ccccc2c1C(Br)c1ccc(Cl)c(F)c1
InChIInChI=1S/C18H13BrClF/c1-11-6-7-12-4-2-3-5-14(12)17(11)18(19)13-8-9-15(20)16(21)10-13/h2-10,18H,1H3
InChIKeyGIEIXBJTYJTDLJ-UHFFFAOYSA-N
MW363.66 g/mol
LogP6.43
Rot. Bonds2

About 1-[bromo-(4-chloro-3-fluorophenyl)methyl]-2-methylnaphthalene

1-[bromo-(4-chloro-3-fluorophenyl)methyl]-2-methylnaphthalene (PubChem CID 107992100) has the molecular formula C18H13BrClF and a molecular weight of 363.66 g/mol. Its IUPAC name is 1-[bromo-(4-chloro-3-fluorophenyl)methyl]-2-methylnaphthalene.

Molecular Properties

Compound Name1-[bromo-(4-chloro-3-fluorophenyl)methyl]-2-methylnaphthalene
PubChem CID107992100
Molecular FormulaC18H13BrClF
Molecular Weight363.66 g/mol
Exact Mass361.99
IUPAC Name1-[bromo-(4-chloro-3-fluorophenyl)methyl]-2-methylnaphthalene
SMILESCc1ccc2ccccc2c1C(Br)c1ccc(Cl)c(F)c1
InChIInChI=1S/C18H13BrClF/c1-11-6-7-12-4-2-3-5-14(12)17(11)18(19)13-8-9-15(20)16(21)10-13/h2-10,18H,1H3
InChIKeyGIEIXBJTYJTDLJ-UHFFFAOYSA-N
XLogP6.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.66
LogP ≤ 56.43
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-3-fluorophenyl)methyl]-2-methylnaphthalene
CID 81430765
3-[bromo-(4-chloro-3-fluorophenyl)methyl]-1,2,4,5-tetramethylbenzene
CID 107991664
1-[bromo-(5-chloro-2-methylphenyl)methyl]-2-methylnaphthalene
CID 82874592
1-[bromo-(4-methoxyphenyl)methyl]-2-methylnaphthalene
CID 81429056
1-[bromo-(2,3-difluorophenyl)methyl]-2-methylnaphthalene
CID 81430617
4-[bromo-(3,4-dichlorophenyl)methyl]-2-fluoro-1-methylbenzene
CID 55197637
1-[chloro-(2,5-dichlorophenyl)methyl]-2-methylnaphthalene
CID 81429992
4-[bromo-(4-chloro-3-fluorophenyl)methyl]-1,2-dichlorobenzene
CID 107991747
(3,5-dichlorophenyl)-(2-methylnaphthalen-1-yl)methanamine
CID 81430120
1-[chloro-(4-chloro-3-fluorophenyl)methyl]naphthalene
CID 107991910
1-chloro-4-[chloro-(3,4-dimethylphenyl)methyl]-2-fluorobenzene
CID 107991387
2-[bromo-(3-chloro-4-methylphenyl)methyl]-1,3,5-trifluorobenzene
CID 63438556

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(4-chloro-3-fluorophenyl)methyl]-2-methylnaphthalene?
The IUPAC name of 1-[bromo-(4-chloro-3-fluorophenyl)methyl]-2-methylnaphthalene (CID 107992100) is 1-[bromo-(4-chloro-3-fluorophenyl)methyl]-2-methylnaphthalene.
What is the SMILES notation for 1-[bromo-(4-chloro-3-fluorophenyl)methyl]-2-methylnaphthalene?
The canonical SMILES for 1-[bromo-(4-chloro-3-fluorophenyl)methyl]-2-methylnaphthalene is Cc1ccc2ccccc2c1C(Br)c1ccc(Cl)c(F)c1.
What is the InChIKey of 1-[bromo-(4-chloro-3-fluorophenyl)methyl]-2-methylnaphthalene?
The InChIKey is GIEIXBJTYJTDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrClF/c1-11-6-7-12-4-2-3-5-14(12)17(11)18(19)13-8-9-15(20)16(21)10-13/h2-10,18H,1H3.
What are the key properties of 1-[bromo-(4-chloro-3-fluorophenyl)methyl]-2-methylnaphthalene?
1-[bromo-(4-chloro-3-fluorophenyl)methyl]-2-methylnaphthalene has a molecular weight of 363.66 g/mol, XLogP of 6.43, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo-(4-chloro-3-fluorophenyl)methyl]-2-methylnaphthalene is sourced from PubChem (CID 107992100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).