2-[bromo(fluoro)methyl]naphthalene

C11H8BrF — CID 118536685

IUPAC2-[bromo(fluoro)methyl]naphthalene
SMILESFC(Br)c1ccc2ccccc2c1
InChIInChI=1S/C11H8BrF/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H
InChIKeyCRQLGXBLYFDQJS-UHFFFAOYSA-N
MW239.09 g/mol
LogP4.20
Rot. Bonds1

About 2-[bromo(fluoro)methyl]naphthalene

2-[bromo(fluoro)methyl]naphthalene (PubChem CID 118536685) has the molecular formula C11H8BrF and a molecular weight of 239.09 g/mol. Its IUPAC name is 2-[bromo(fluoro)methyl]naphthalene.

Molecular Properties

Compound Name2-[bromo(fluoro)methyl]naphthalene
PubChem CID118536685
Molecular FormulaC11H8BrF
Molecular Weight239.09 g/mol
Exact Mass237.98
IUPAC Name2-[bromo(fluoro)methyl]naphthalene
SMILESFC(Br)c1ccc2ccccc2c1
InChIInChI=1S/C11H8BrF/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H
InChIKeyCRQLGXBLYFDQJS-UHFFFAOYSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.09
LogP ≤ 54.20
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

(1R,2S)-1,2-dinaphthalen-2-ylethane-1,2-diamine
CID 14048524
ethane;2-propan-2-ylnaphthalene
CID 142226111
naphthalen-2-ylmethanediol
CID 22496827
2-[bromo(2,3-dihydro-1H-inden-5-yl)methyl]naphthalene
CID 63440446
2-[bromo-(4-methylphenyl)methyl]naphthalene
CID 63437307
2-propan-2-ylpentacene
CID 153380535
2-[1-bromo-2-(4-fluorophenyl)ethyl]naphthalene
CID 63542085
3,3,3-trifluoro-1-naphthalen-2-ylpropan-1-ol
CID 55115850
amino(naphthalen-2-yl)methanethiol
CID 116939563
1-naphthalen-2-ylethanethiol
CID 11672816
1-naphthalen-2-ylethanamine
CID 3857145
amino(naphthalen-2-yl)methanol
CID 57110079

Frequently Asked Questions

What is the IUPAC name of 2-[bromo(fluoro)methyl]naphthalene?
The IUPAC name of 2-[bromo(fluoro)methyl]naphthalene (CID 118536685) is 2-[bromo(fluoro)methyl]naphthalene.
What is the SMILES notation for 2-[bromo(fluoro)methyl]naphthalene?
The canonical SMILES for 2-[bromo(fluoro)methyl]naphthalene is FC(Br)c1ccc2ccccc2c1.
What is the InChIKey of 2-[bromo(fluoro)methyl]naphthalene?
The InChIKey is CRQLGXBLYFDQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H.
What are the key properties of 2-[bromo(fluoro)methyl]naphthalene?
2-[bromo(fluoro)methyl]naphthalene has a molecular weight of 239.09 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo(fluoro)methyl]naphthalene is sourced from PubChem (CID 118536685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).