1,3-dibromo-1,2,3,4-tetrahydronaphthalene

C10H10Br2 — CID 3023387

IUPAC1,3-dibromo-1,2,3,4-tetrahydronaphthalene
SMILESBrC1Cc2ccccc2C(Br)C1
InChIInChI=1S/C10H10Br2/c11-8-5-7-3-1-2-4-9(7)10(12)6-8/h1-4,8,10H,5-6H2
InChIKeyVUDWWNGBDAJKFX-UHFFFAOYSA-N
MW290.00 g/mol
LogP3.83
Rot. Bonds

About 1,3-dibromo-1,2,3,4-tetrahydronaphthalene

1,3-dibromo-1,2,3,4-tetrahydronaphthalene (PubChem CID 3023387) has the molecular formula C10H10Br2 and a molecular weight of 290.00 g/mol. Its IUPAC name is 1,3-dibromo-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1,3-dibromo-1,2,3,4-tetrahydronaphthalene
PubChem CID3023387
Molecular FormulaC10H10Br2
Molecular Weight290.00 g/mol
Exact Mass287.91
IUPAC Name1,3-dibromo-1,2,3,4-tetrahydronaphthalene
SMILESBrC1Cc2ccccc2C(Br)C1
InChIInChI=1S/C10H10Br2/c11-8-5-7-3-1-2-4-9(7)10(12)6-8/h1-4,8,10H,5-6H2
InChIKeyVUDWWNGBDAJKFX-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.00
LogP ≤ 53.83
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-methyl-1,2,3,4-tetrahydronaphthalene
CID 78952250
(1S)-2,3-dihydro-1H-indene-1,2-diol
CID 68820122
5-bromo-7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 63514780
4-bromo-3,4-dihydro-1H-naphthalen-2-one
CID 143469044
5-bromo-5,6,8,9-tetrahydrobenzo[7]annulen-7-one
CID 68625742
(1S)-1-bromo-2,3-dihydro-1H-inden-2-amine
CID 142687946
(1S,2R)-2-bromo-2,3-dihydro-1H-inden-1-amine
CID 131850845
7-(bromomethyl)bicyclo[4.2.0]octa-1,3,5-triene
CID 65438345
(1R,4S)-1,4-dibromo-1,2,3,4-tetrahydronaphthalene
CID 45356914
3-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 582249
bicyclo[4.2.0]octa-1,3,5-trien-7-amine
CID 2753029
(1S,2R,10R,11S)-pentacyclo[9.7.0.02,10.03,8.013,18]octadeca-3,5,7,13,15,17-hexaene
CID 102463756

Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1,3-dibromo-1,2,3,4-tetrahydronaphthalene (CID 3023387) is 1,3-dibromo-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1,3-dibromo-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1,3-dibromo-1,2,3,4-tetrahydronaphthalene is BrC1Cc2ccccc2C(Br)C1.
What is the InChIKey of 1,3-dibromo-1,2,3,4-tetrahydronaphthalene?
The InChIKey is VUDWWNGBDAJKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2/c11-8-5-7-3-1-2-4-9(7)10(12)6-8/h1-4,8,10H,5-6H2.
What are the key properties of 1,3-dibromo-1,2,3,4-tetrahydronaphthalene?
1,3-dibromo-1,2,3,4-tetrahydronaphthalene has a molecular weight of 290.00 g/mol, XLogP of 3.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 3023387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).