1-[2-(2-bromo-6-fluorophenyl)-2-chloroethyl]naphthalene

C18H13BrClF — CID 114560946

IUPAC1-[2-(2-bromo-6-fluorophenyl)-2-chloroethyl]naphthalene
SMILESFc1cccc(Br)c1C(Cl)Cc1cccc2ccccc12
InChIInChI=1S/C18H13BrClF/c19-15-9-4-10-17(21)18(15)16(20)11-13-7-3-6-12-5-1-2-8-14(12)13/h1-10,16H,11H2
InChIKeyLJYBOJGLGODNAD-UHFFFAOYSA-N
MW363.66 g/mol
LogP6.26
Rot. Bonds3

About 1-[2-(2-bromo-6-fluorophenyl)-2-chloroethyl]naphthalene

1-[2-(2-bromo-6-fluorophenyl)-2-chloroethyl]naphthalene (PubChem CID 114560946) has the molecular formula C18H13BrClF and a molecular weight of 363.66 g/mol. Its IUPAC name is 1-[2-(2-bromo-6-fluorophenyl)-2-chloroethyl]naphthalene.

Molecular Properties

Compound Name1-[2-(2-bromo-6-fluorophenyl)-2-chloroethyl]naphthalene
PubChem CID114560946
Molecular FormulaC18H13BrClF
Molecular Weight363.66 g/mol
Exact Mass361.99
IUPAC Name1-[2-(2-bromo-6-fluorophenyl)-2-chloroethyl]naphthalene
SMILESFc1cccc(Br)c1C(Cl)Cc1cccc2ccccc12
InChIInChI=1S/C18H13BrClF/c19-15-9-4-10-17(21)18(15)16(20)11-13-7-3-6-12-5-1-2-8-14(12)13/h1-10,16H,11H2
InChIKeyLJYBOJGLGODNAD-UHFFFAOYSA-N
XLogP6.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.66
LogP ≤ 56.26
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-[2-chloro-2-(2,6-difluorophenyl)ethyl]naphthalene
CID 63519532
1-[2-chloro-2-(4-fluorophenyl)ethyl]naphthalene
CID 63519540
1-[2-chloro-2-(5-chloro-2-fluorophenyl)ethyl]naphthalene
CID 63519535
2-[2-(2-bromo-6-fluorophenyl)-2-chloroethyl]-1H-imidazole
CID 114560589
1-[2-(2-bromo-3-methylphenyl)-2-chloroethyl]naphthalene
CID 107983852
1-(2-chloropropyl)naphthalene
CID 12809422
1-chloro-2-naphthalen-1-ylethanol
CID 54087449
2-(2-bromo-3-fluorophenyl)-1-(2-bromo-6-fluorophenyl)ethanol
CID 114885692
1-[2-(4-bromo-2-methylphenyl)-2-chloroethyl]naphthalene
CID 63519350
1-(2-bromo-6-fluorophenyl)-2-(3-chloro-2-fluorophenyl)ethanol
CID 102857500
1-[2-bromo-2-(4-chlorophenyl)ethyl]naphthalene
CID 63543264
1-(2-bromo-6-fluorophenyl)-2-(5-chloro-2-fluorophenyl)ethanol
CID 103048373

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromo-6-fluorophenyl)-2-chloroethyl]naphthalene?
The IUPAC name of 1-[2-(2-bromo-6-fluorophenyl)-2-chloroethyl]naphthalene (CID 114560946) is 1-[2-(2-bromo-6-fluorophenyl)-2-chloroethyl]naphthalene.
What is the SMILES notation for 1-[2-(2-bromo-6-fluorophenyl)-2-chloroethyl]naphthalene?
The canonical SMILES for 1-[2-(2-bromo-6-fluorophenyl)-2-chloroethyl]naphthalene is Fc1cccc(Br)c1C(Cl)Cc1cccc2ccccc12.
What is the InChIKey of 1-[2-(2-bromo-6-fluorophenyl)-2-chloroethyl]naphthalene?
The InChIKey is LJYBOJGLGODNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrClF/c19-15-9-4-10-17(21)18(15)16(20)11-13-7-3-6-12-5-1-2-8-14(12)13/h1-10,16H,11H2.
What are the key properties of 1-[2-(2-bromo-6-fluorophenyl)-2-chloroethyl]naphthalene?
1-[2-(2-bromo-6-fluorophenyl)-2-chloroethyl]naphthalene has a molecular weight of 363.66 g/mol, XLogP of 6.26, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromo-6-fluorophenyl)-2-chloroethyl]naphthalene is sourced from PubChem (CID 114560946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).