1-[1-bromo-2-(2-fluorophenyl)ethyl]-2-methylnaphthalene

C19H16BrF — CID 81430334

IUPAC1-[1-bromo-2-(2-fluorophenyl)ethyl]-2-methylnaphthalene
SMILESCc1ccc2ccccc2c1C(Br)Cc1ccccc1F
InChIInChI=1S/C19H16BrF/c1-13-10-11-14-6-2-4-8-16(14)19(13)17(20)12-15-7-3-5-9-18(15)21/h2-11,17H,12H2,1H3
InChIKeyQTHPKMYKOHEYLD-UHFFFAOYSA-N
MW343.24 g/mol
LogP5.97
Rot. Bonds3

About 1-[1-bromo-2-(2-fluorophenyl)ethyl]-2-methylnaphthalene

1-[1-bromo-2-(2-fluorophenyl)ethyl]-2-methylnaphthalene (PubChem CID 81430334) has the molecular formula C19H16BrF and a molecular weight of 343.24 g/mol. Its IUPAC name is 1-[1-bromo-2-(2-fluorophenyl)ethyl]-2-methylnaphthalene.

Molecular Properties

Compound Name1-[1-bromo-2-(2-fluorophenyl)ethyl]-2-methylnaphthalene
PubChem CID81430334
Molecular FormulaC19H16BrF
Molecular Weight343.24 g/mol
Exact Mass342.04
IUPAC Name1-[1-bromo-2-(2-fluorophenyl)ethyl]-2-methylnaphthalene
SMILESCc1ccc2ccccc2c1C(Br)Cc1ccccc1F
InChIInChI=1S/C19H16BrF/c1-13-10-11-14-6-2-4-8-16(14)19(13)17(20)12-15-7-3-5-9-18(15)21/h2-11,17H,12H2,1H3
InChIKeyQTHPKMYKOHEYLD-UHFFFAOYSA-N
XLogP5.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.24
LogP ≤ 55.97
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

2-[1-bromo-2-(2-fluorophenyl)ethyl]-1,3-difluorobenzene
CID 55224470
1-[bromo-(2,3-difluorophenyl)methyl]-2-methylnaphthalene
CID 81430617
1-(1-bromo-2-cyclopropylethyl)-2-methylnaphthalene
CID 81432823
1-[1-bromo-2-(2-methylphenyl)ethyl]-2,3,4,5,6-pentafluorobenzene
CID 63544372
2,2,3,3,3-pentafluoro-1-(2-methylnaphthalen-1-yl)propan-1-ol
CID 81431477
1-[bromo-(4-bromo-3-fluorophenyl)methyl]-2-methylnaphthalene
CID 81430765
1-[1-bromo-2-(2-fluorophenyl)ethyl]-2-iodo-3-methylbenzene
CID 114029625
2-[1-bromo-2-(2-fluorophenyl)ethyl]-3,5-dimethylthiophene
CID 81158746
2-[1-bromo-2-(2-fluorophenyl)ethyl]furan
CID 63017056
(1R)-2,2,2-trifluoro-1-(2-methylnaphthalen-1-yl)ethanol
CID 14810052
1-[bromo-(4-chloro-3-fluorophenyl)methyl]-2-methylnaphthalene
CID 107992100
1-[1-bromo-3-(2,2,2-trifluoroethoxy)propyl]-2-methylnaphthalene
CID 103211310

Frequently Asked Questions

What is the IUPAC name of 1-[1-bromo-2-(2-fluorophenyl)ethyl]-2-methylnaphthalene?
The IUPAC name of 1-[1-bromo-2-(2-fluorophenyl)ethyl]-2-methylnaphthalene (CID 81430334) is 1-[1-bromo-2-(2-fluorophenyl)ethyl]-2-methylnaphthalene.
What is the SMILES notation for 1-[1-bromo-2-(2-fluorophenyl)ethyl]-2-methylnaphthalene?
The canonical SMILES for 1-[1-bromo-2-(2-fluorophenyl)ethyl]-2-methylnaphthalene is Cc1ccc2ccccc2c1C(Br)Cc1ccccc1F.
What is the InChIKey of 1-[1-bromo-2-(2-fluorophenyl)ethyl]-2-methylnaphthalene?
The InChIKey is QTHPKMYKOHEYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrF/c1-13-10-11-14-6-2-4-8-16(14)19(13)17(20)12-15-7-3-5-9-18(15)21/h2-11,17H,12H2,1H3.
What are the key properties of 1-[1-bromo-2-(2-fluorophenyl)ethyl]-2-methylnaphthalene?
1-[1-bromo-2-(2-fluorophenyl)ethyl]-2-methylnaphthalene has a molecular weight of 343.24 g/mol, XLogP of 5.97, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-bromo-2-(2-fluorophenyl)ethyl]-2-methylnaphthalene is sourced from PubChem (CID 81430334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).