2-[1-bromo-2-(4-fluorophenyl)ethyl]naphthalene

C18H14BrF — CID 63542085

IUPAC2-[1-bromo-2-(4-fluorophenyl)ethyl]naphthalene
SMILESFc1ccc(CC(Br)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C18H14BrF/c19-18(11-13-5-9-17(20)10-6-13)16-8-7-14-3-1-2-4-15(14)12-16/h1-10,12,18H,11H2
InChIKeyIRGKKUKFFAVQQS-UHFFFAOYSA-N
MW329.21 g/mol
LogP5.66
Rot. Bonds3

About 2-[1-bromo-2-(4-fluorophenyl)ethyl]naphthalene

2-[1-bromo-2-(4-fluorophenyl)ethyl]naphthalene (PubChem CID 63542085) has the molecular formula C18H14BrF and a molecular weight of 329.21 g/mol. Its IUPAC name is 2-[1-bromo-2-(4-fluorophenyl)ethyl]naphthalene.

Molecular Properties

Compound Name2-[1-bromo-2-(4-fluorophenyl)ethyl]naphthalene
PubChem CID63542085
Molecular FormulaC18H14BrF
Molecular Weight329.21 g/mol
Exact Mass328.03
IUPAC Name2-[1-bromo-2-(4-fluorophenyl)ethyl]naphthalene
SMILESFc1ccc(CC(Br)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C18H14BrF/c19-18(11-13-5-9-17(20)10-6-13)16-8-7-14-3-1-2-4-15(14)12-16/h1-10,12,18H,11H2
InChIKeyIRGKKUKFFAVQQS-UHFFFAOYSA-N
XLogP5.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.21
LogP ≤ 55.66
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-3-[1-bromo-2-(4-fluorophenyl)ethyl]benzene
CID 63542087
4-[1-bromo-2-(4-fluorophenyl)ethyl]-1,2-dichlorobenzene
CID 63444797
4-[1-bromo-2-(4-fluorophenyl)ethyl]-1,2-diethylbenzene
CID 115482997
2-[2-bromo-2-(3-iodophenyl)ethyl]naphthalene
CID 63544103
1-[1-bromo-2-(4-fluorophenyl)ethyl]-3-propan-2-yloxybenzene
CID 63542603
2,3-bis(4-fluorophenyl)-1-naphthalen-2-ylpropan-1-one
CID 135032887
2-[2-bromo-2-(3,5-dimethylphenyl)ethyl]naphthalene
CID 63543067
(4-fluorophenyl)-naphthalen-2-ylmethanamine
CID 43184816
1-(6-bromonaphthalen-2-yl)-2-(4-fluorophenyl)ethanol
CID 115354460
4-[2-bromo-2-(4-fluorophenyl)ethyl]pyridine
CID 66452680
2-[bromo(fluoro)methyl]naphthalene
CID 118536685
1-[2-bromo-2-(4-fluorophenyl)ethyl]-3-methoxybenzene
CID 61086300

Frequently Asked Questions

What is the IUPAC name of 2-[1-bromo-2-(4-fluorophenyl)ethyl]naphthalene?
The IUPAC name of 2-[1-bromo-2-(4-fluorophenyl)ethyl]naphthalene (CID 63542085) is 2-[1-bromo-2-(4-fluorophenyl)ethyl]naphthalene.
What is the SMILES notation for 2-[1-bromo-2-(4-fluorophenyl)ethyl]naphthalene?
The canonical SMILES for 2-[1-bromo-2-(4-fluorophenyl)ethyl]naphthalene is Fc1ccc(CC(Br)c2ccc3ccccc3c2)cc1.
What is the InChIKey of 2-[1-bromo-2-(4-fluorophenyl)ethyl]naphthalene?
The InChIKey is IRGKKUKFFAVQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrF/c19-18(11-13-5-9-17(20)10-6-13)16-8-7-14-3-1-2-4-15(14)12-16/h1-10,12,18H,11H2.
What are the key properties of 2-[1-bromo-2-(4-fluorophenyl)ethyl]naphthalene?
2-[1-bromo-2-(4-fluorophenyl)ethyl]naphthalene has a molecular weight of 329.21 g/mol, XLogP of 5.66, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-bromo-2-(4-fluorophenyl)ethyl]naphthalene is sourced from PubChem (CID 63542085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).