1-bromo-5-(2-bromoethyl)naphthalene

C12H10Br2 — CID 174470711

IUPAC1-bromo-5-(2-bromoethyl)naphthalene
SMILESBrCCc1cccc2c(Br)cccc12
InChIInChI=1S/C12H10Br2/c13-8-7-9-3-1-5-11-10(9)4-2-6-12(11)14/h1-6H,7-8H2
InChIKeyUEFFFGOCIVHMOQ-UHFFFAOYSA-N
MW314.02 g/mol
LogP4.54
Rot. Bonds2

About 1-bromo-5-(2-bromoethyl)naphthalene

1-bromo-5-(2-bromoethyl)naphthalene (PubChem CID 174470711) has the molecular formula C12H10Br2 and a molecular weight of 314.02 g/mol. Its IUPAC name is 1-bromo-5-(2-bromoethyl)naphthalene.

Molecular Properties

Compound Name1-bromo-5-(2-bromoethyl)naphthalene
PubChem CID174470711
Molecular FormulaC12H10Br2
Molecular Weight314.02 g/mol
Exact Mass311.91
IUPAC Name1-bromo-5-(2-bromoethyl)naphthalene
SMILESBrCCc1cccc2c(Br)cccc12
InChIInChI=1S/C12H10Br2/c13-8-7-9-3-1-5-11-10(9)4-2-6-12(11)14/h1-6H,7-8H2
InChIKeyUEFFFGOCIVHMOQ-UHFFFAOYSA-N
XLogP4.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.02
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-bromo-5-(2-bromoethyl)naphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-bromoethyl)naphthalene;hydrofluoride
CID 174588408
(5-bromonaphthalen-1-yl)methyl-triphenylphosphanium
CID 131887795
1-bromo-3-(3-bromopropyl)-2-(trifluoromethoxy)benzene
CID 119022374
acetic acid;1-(2-bromoethyl)naphthalene
CID 174648093
1-bromo-4-[(4-bromonaphthalen-1-yl)methyl]naphthalene
CID 59060546
1-bromo-5-[(sulfinatoamino)methyl]naphthalene
CID 67383098
5-bromonaphthalene-1-carboxylic acid;(5-bromonaphthalen-1-yl)methanol
CID 158385324
2-(2-bromoethyl)bicyclo[4.2.0]octa-1(6),2,4-triene
CID 170559962
1,4-dibromonaphthalene
CID 162208061
1-bromo-2-(2-bromoethyl)-3-butylbenzene
CID 174607287
2-(3-bromo-2-ethoxyphenyl)ethanamine
CID 61391880
7-bromo-3-(2-bromoethyl)-1,2-benzoxazole
CID 39097559

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-(2-bromoethyl)naphthalene?
The IUPAC name of 1-bromo-5-(2-bromoethyl)naphthalene (CID 174470711) is 1-bromo-5-(2-bromoethyl)naphthalene.
What is the SMILES notation for 1-bromo-5-(2-bromoethyl)naphthalene?
The canonical SMILES for 1-bromo-5-(2-bromoethyl)naphthalene is BrCCc1cccc2c(Br)cccc12.
What is the InChIKey of 1-bromo-5-(2-bromoethyl)naphthalene?
The InChIKey is UEFFFGOCIVHMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2/c13-8-7-9-3-1-5-11-10(9)4-2-6-12(11)14/h1-6H,7-8H2.
What are the key properties of 1-bromo-5-(2-bromoethyl)naphthalene?
1-bromo-5-(2-bromoethyl)naphthalene has a molecular weight of 314.02 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-(2-bromoethyl)naphthalene is sourced from PubChem (CID 174470711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).