2-bromo-6-[1-chloro-2-(2-fluorophenyl)ethyl]naphthalene

C18H13BrClF — CID 115354476

IUPAC2-bromo-6-[1-chloro-2-(2-fluorophenyl)ethyl]naphthalene
SMILESFc1ccccc1CC(Cl)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C18H13BrClF/c19-16-8-7-12-9-14(6-5-13(12)10-16)17(20)11-15-3-1-2-4-18(15)21/h1-10,17H,11H2
InChIKeyUZDBNCUSWAIWCK-UHFFFAOYSA-N
MW363.66 g/mol
LogP6.26
Rot. Bonds3

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

2-bromo-6-[1-chloro-2-(2-fluorophenyl)ethyl]naphthalene (PubChem CID 115354476) has the molecular formula C18H13BrClF and a molecular weight of 363.66 g/mol. Its IUPAC name is 2-bromo-6-[1-chloro-2-(2-fluorophenyl)ethyl]naphthalene.

Molecular Properties

Compound Name2-bromo-6-[1-chloro-2-(2-fluorophenyl)ethyl]naphthalene
PubChem CID115354476
Molecular FormulaC18H13BrClF
Molecular Weight363.66 g/mol
Exact Mass361.99
IUPAC Name2-bromo-6-[1-chloro-2-(2-fluorophenyl)ethyl]naphthalene
SMILESFc1ccccc1CC(Cl)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C18H13BrClF/c19-16-8-7-12-9-14(6-5-13(12)10-16)17(20)11-15-3-1-2-4-18(15)21/h1-10,17H,11H2
InChIKeyUZDBNCUSWAIWCK-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-bromo-4-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylbenzene
CID 113396989
4-[1-chloro-2-(2-fluorophenyl)ethyl]-1-fluoro-2-methylbenzene
CID 63542318
4-bromo-2-chloro-1-[1-chloro-2-(2-fluorophenyl)ethyl]benzene
CID 63544049
5-[1-chloro-2-(2-fluorophenyl)ethyl]-1,2,3-trifluorobenzene
CID 55223503
1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-propan-2-ylbenzene
CID 63434643
2-[2-(6-bromonaphthalen-2-yl)-2-chloroethyl]thiophene
CID 113292793
4-bromo-1-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methoxybenzene
CID 115370094
2-[1-chloro-2-(2-chlorophenyl)ethyl]naphthalene
CID 63520023
4-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylfuran
CID 114822972
2-bromo-6-[1-chloro-2-(3-methylphenyl)ethyl]naphthalene
CID 115354481
1-bromo-4-[1-chloro-2-(2,3-difluorophenyl)ethyl]-2-methylbenzene
CID 113396998
4-[1-chloro-2-(2-fluorophenyl)ethyl]pyridine
CID 63018718

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[1-chloro-2-(2-fluorophenyl)ethyl]naphthalene?
The IUPAC name of 2-bromo-6-[1-chloro-2-(2-fluorophenyl)ethyl]naphthalene (CID 115354476) is 2-bromo-6-[1-chloro-2-(2-fluorophenyl)ethyl]naphthalene.
What is the SMILES notation for 2-bromo-6-[1-chloro-2-(2-fluorophenyl)ethyl]naphthalene?
The canonical SMILES for 2-bromo-6-[1-chloro-2-(2-fluorophenyl)ethyl]naphthalene is Fc1ccccc1CC(Cl)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 2-bromo-6-[1-chloro-2-(2-fluorophenyl)ethyl]naphthalene?
The InChIKey is UZDBNCUSWAIWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrClF/c19-16-8-7-12-9-14(6-5-13(12)10-16)17(20)11-15-3-1-2-4-18(15)21/h1-10,17H,11H2.
What are the key properties of 2-bromo-6-[1-chloro-2-(2-fluorophenyl)ethyl]naphthalene?
2-bromo-6-[1-chloro-2-(2-fluorophenyl)ethyl]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 2-bromo-6-[1-chloro-2-(2-fluorophenyl)ethyl]naphthalene is sourced from PubChem (CID 115354476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).