3,8-dibromo-1-fluoronaphthalene

C10H5Br2F — CID 23233890

IUPAC3,8-dibromo-1-fluoronaphthalene
SMILESFc1cc(Br)cc2cccc(Br)c12
InChIInChI=1S/C10H5Br2F/c11-7-4-6-2-1-3-8(12)10(6)9(13)5-7/h1-5H
InChIKeyDCSJWTHOECRNCC-UHFFFAOYSA-N
MW303.96 g/mol
LogP4.50
Rot. Bonds

About 3,8-dibromo-1-fluoronaphthalene

3,8-dibromo-1-fluoronaphthalene (PubChem CID 23233890) has the molecular formula C10H5Br2F and a molecular weight of 303.96 g/mol. Its IUPAC name is 3,8-dibromo-1-fluoronaphthalene.

Molecular Properties

Compound Name3,8-dibromo-1-fluoronaphthalene
PubChem CID23233890
Molecular FormulaC10H5Br2F
Molecular Weight303.96 g/mol
Exact Mass301.87
IUPAC Name3,8-dibromo-1-fluoronaphthalene
SMILESFc1cc(Br)cc2cccc(Br)c12
InChIInChI=1S/C10H5Br2F/c11-7-4-6-2-1-3-8(12)10(6)9(13)5-7/h1-5H
InChIKeyDCSJWTHOECRNCC-UHFFFAOYSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.96
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,8-dibromo-1-fluoronaphthalene?
The IUPAC name of 3,8-dibromo-1-fluoronaphthalene (CID 23233890) is 3,8-dibromo-1-fluoronaphthalene.
What is the SMILES notation for 3,8-dibromo-1-fluoronaphthalene?
The canonical SMILES for 3,8-dibromo-1-fluoronaphthalene is Fc1cc(Br)cc2cccc(Br)c12.
What is the InChIKey of 3,8-dibromo-1-fluoronaphthalene?
The InChIKey is DCSJWTHOECRNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Br2F/c11-7-4-6-2-1-3-8(12)10(6)9(13)5-7/h1-5H.
What are the key properties of 3,8-dibromo-1-fluoronaphthalene?
3,8-dibromo-1-fluoronaphthalene has a molecular weight of 303.96 g/mol, XLogP of 4.50, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dibromo-1-fluoronaphthalene is sourced from PubChem (CID 23233890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).