3-bromo-2-(3-bromo-1-fluoronaphthalen-2-yl)-1-fluoronaphthalene

C20H10Br2F2 — CID 11655278

IUPAC3-bromo-2-(3-bromo-1-fluoronaphthalen-2-yl)-1-fluoronaphthalene
SMILESFc1c(-c2c(Br)cc3ccccc3c2F)c(Br)cc2ccccc12
InChIInChI=1S/C20H10Br2F2/c21-15-9-11-5-1-3-7-13(11)19(23)17(15)18-16(22)10-12-6-2-4-8-14(12)20(18)24/h1-10H
InChIKeyBSSRBLSBJSGLRS-UHFFFAOYSA-N
MW448.10 g/mol
LogP7.46
Rot. Bonds1

About 3-bromo-2-(3-bromo-1-fluoronaphthalen-2-yl)-1-fluoronaphthalene

3-bromo-2-(3-bromo-1-fluoronaphthalen-2-yl)-1-fluoronaphthalene (PubChem CID 11655278) has the molecular formula C20H10Br2F2 and a molecular weight of 448.10 g/mol. Its IUPAC name is 3-bromo-2-(3-bromo-1-fluoronaphthalen-2-yl)-1-fluoronaphthalene.

Molecular Properties

Compound Name3-bromo-2-(3-bromo-1-fluoronaphthalen-2-yl)-1-fluoronaphthalene
PubChem CID11655278
Molecular FormulaC20H10Br2F2
Molecular Weight448.10 g/mol
Exact Mass445.91
IUPAC Name3-bromo-2-(3-bromo-1-fluoronaphthalen-2-yl)-1-fluoronaphthalene
SMILESFc1c(-c2c(Br)cc3ccccc3c2F)c(Br)cc2ccccc12
InChIInChI=1S/C20H10Br2F2/c21-15-9-11-5-1-3-7-13(11)19(23)17(15)18-16(22)10-12-6-2-4-8-14(12)20(18)24/h1-10H
InChIKeyBSSRBLSBJSGLRS-UHFFFAOYSA-N
XLogP7.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.10
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-bromo-2-(3-bromo-1-fluoronaphthalen-2-yl)-1-fluoronaphthalene 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

9-Bromophenanthrene
CID 11309
9,10-Dibromoanthracene
CID 68226
9-Bromoanthracene
CID 74062
6-Bromobenzo(a)pyrene
CID 30545
1-Bromo-2-(bromomethyl)naphthalene
CID 37828
1-Bromopyrene
CID 159627
7-Bromobenz(a)anthracene
CID 72849
1-Bromo-2-methylnaphthalene
CID 75754
1-Bromo-4-methylnaphthalene
CID 81112
9-Bromo-10-phenyl-anthracene
CID 4155836
9-Bromo-10-methylanthracene
CID 5077898
1,3,6,8-Tetrabromopyrene
CID 67188

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(3-bromo-1-fluoronaphthalen-2-yl)-1-fluoronaphthalene?
The IUPAC name of 3-bromo-2-(3-bromo-1-fluoronaphthalen-2-yl)-1-fluoronaphthalene (CID 11655278) is 3-bromo-2-(3-bromo-1-fluoronaphthalen-2-yl)-1-fluoronaphthalene.
What is the SMILES notation for 3-bromo-2-(3-bromo-1-fluoronaphthalen-2-yl)-1-fluoronaphthalene?
The canonical SMILES for 3-bromo-2-(3-bromo-1-fluoronaphthalen-2-yl)-1-fluoronaphthalene is Fc1c(-c2c(Br)cc3ccccc3c2F)c(Br)cc2ccccc12.
What is the InChIKey of 3-bromo-2-(3-bromo-1-fluoronaphthalen-2-yl)-1-fluoronaphthalene?
The InChIKey is BSSRBLSBJSGLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10Br2F2/c21-15-9-11-5-1-3-7-13(11)19(23)17(15)18-16(22)10-12-6-2-4-8-14(12)20(18)24/h1-10H.
What are the key properties of 3-bromo-2-(3-bromo-1-fluoronaphthalen-2-yl)-1-fluoronaphthalene?
3-bromo-2-(3-bromo-1-fluoronaphthalen-2-yl)-1-fluoronaphthalene has a molecular weight of 448.10 g/mol, XLogP of 7.46, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(3-bromo-1-fluoronaphthalen-2-yl)-1-fluoronaphthalene is sourced from PubChem (CID 11655278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).