1,3-dibromo-2-(fluoromethyl)benzene;bis(1,3-dibromo-2-fluoro-5-methylbenzene);1,3-dibromo-5-fluoro-2-methylbenzene;hexakis(1,4-dibromo-2-(fluoromethyl)benzene);1,4-dibromo-2-fluoro-5-methylbenzene;tris(2,3-dibromo-1-fluoro-4-methylbenzene);tetrakis(2,4-dibromo-1-(fluoromethyl)benzene);methane;1,2,3-tribromo-5-fluorobenzene;bis(1,2,4-tribromo-3-fluorobenzene);1,2,5-tribromo-3-fluorobenzene

C153H110Br48F22 — CID 160512672

About 1,3-dibromo-2-(fluoromethyl)benzene;bis(1,3-dibromo-2-fluoro-5-methylbenzene);1,3-dibromo-5-fluoro-2-methylbenzene;hexakis(1,4-dibromo-2-(fluoromethyl)benzene);1,4-dibromo-2-fluoro-5-methylbenzene;tris(2,3-dibromo-1-fluoro-4-methylbenzene);tetrakis(2,4-dibromo-1-(fluoromethyl)benzene);methane;1,2,3-tribromo-5-fluorobenzene;bis(1,2,4-tribromo-3-fluorobenzene);1,2,5-tribromo-3-fluorobenzene

1,3-dibromo-2-(fluoromethyl)benzene;bis(1,3-dibromo-2-fluoro-5-methylbenzene);1,3-dibromo-5-fluoro-2-methylbenzene;hexakis(1,4-dibromo-2-(fluoromethyl)benzene);1,4-dibromo-2-fluoro-5-methylbenzene;tris(2,3-dibromo-1-fluoro-4-methylbenzene);tetrakis(2,4-dibromo-1-(fluoromethyl)benzene);methane;1,2,3-tribromo-5-fluorobenzene;bis(1,2,4-tribromo-3-fluorobenzene);1,2,5-tribromo-3-fluorobenzene (PubChem CID 160512672) has the molecular formula C153H110Br48F22 and a molecular weight of 6201.91 g/mol. Its IUPAC name is 1,3-dibromo-2-(fluoromethyl)benzene;bis(1,3-dibromo-2-fluoro-5-methylbenzene);1,3-dibromo-5-fluoro-2-methylbenzene;hexakis(1,4-dibromo-2-(fluoromethyl)benzene);1,4-dibromo-2-fluoro-5-methylbenzene;tris(2,3-dibromo-1-fluoro-4-methylbenzene);tetrakis(2,4-dibromo-1-(fluoromethyl)benzene);methane;1,2,3-tribromo-5-fluorobenzene;bis(1,2,4-tribromo-3-fluorobenzene);1,2,5-tribromo-3-fluorobenzene.

Molecular Properties

• Compound Name: 1,3-dibromo-2-(fluoromethyl)benzene;bis(1,3-dibromo-2-fluoro-5-methylbenzene);1,3-dibromo-5-fluoro-2-methylbenzene;hexakis(1,4-dibromo-2-(fluoromethyl)benzene);1,4-dibromo-2-fluoro-5-methylbenzene;tris(2,3-dibromo-1-fluoro-4-methylbenzene);tetrakis(2,4-dibromo-1-(fluoromethyl)benzene);methane;1,2,3-tribromo-5-fluorobenzene;bis(1,2,4-tribromo-3-fluorobenzene);1,2,5-tribromo-3-fluorobenzene
• PubChem CID: 160512672
• Molecular Formula: C153H110Br48F22
• Molecular Weight: 6201.91 g/mol
• Exact Mass: 6152.91
• IUPAC Name: 1,3-dibromo-2-(fluoromethyl)benzene;bis(1,3-dibromo-2-fluoro-5-methylbenzene);1,3-dibromo-5-fluoro-2-methylbenzene;hexakis(1,4-dibromo-2-(fluoromethyl)benzene);1,4-dibromo-2-fluoro-5-methylbenzene;tris(2,3-dibromo-1-fluoro-4-methylbenzene);tetrakis(2,4-dibromo-1-(fluoromethyl)benzene);methane;1,2,3-tribromo-5-fluorobenzene;bis(1,2,4-tribromo-3-fluorobenzene);1,2,5-tribromo-3-fluorobenzene
• SMILES: C.C.C.Cc1c(Br)cc(F)cc1Br.Cc1cc(Br)c(F)c(Br)c1.Cc1cc(Br)c(F)c(Br)c1.Cc1cc(Br)c(F)cc1Br.Cc1ccc(F)c(Br)c1Br.Cc1ccc(F)c(Br)c1Br.Cc1ccc(F)c(Br)c1Br.FCc1c(Br)cccc1Br.FCc1cc(Br)ccc1Br.FCc1cc(Br)ccc1Br.FCc1cc(Br)ccc1Br.FCc1cc(Br)ccc1Br.FCc1cc(Br)ccc1Br.FCc1cc(Br)ccc1Br.FCc1ccc(Br)cc1Br.FCc1ccc(Br)cc1Br.FCc1ccc(Br)cc1Br.FCc1ccc(Br)cc1Br.Fc1c(Br)ccc(Br)c1Br.Fc1c(Br)ccc(Br)c1Br.Fc1cc(Br)c(Br)c(Br)c1.Fc1cc(Br)cc(Br)c1Br
• InChI: InChI=1S/18C7H5Br2F.4C6H2Br3F.3CH4/c1-4-6(8)2-5(10)3-7(4)9;1-4-2-6(9)7(10)3-5(4)8;2*1-4-2-5(8)7(10)6(9)3-4;3*1-4-2-3-5(10)7(9)6(4)8;6*8-6-1-2-7(9)5(3-6)4-10;4*8-6-2-1-5(4-10)7(9)3-6;8-6-2-1-3-7(9)5(6)4-10;7-4-1-3(10)2-5(8)6(4)9;7-3-1-4(8)6(9)5(10)2-3;2*7-3-1-2-4(8)6(10)5(3)9;;;/h7*2-3H,1H3;11*1-3H,4H2;4*1-2H;3*1H4
• InChIKey: QTGFLMQKSUNQTC-UHFFFAOYSA-N
• XLogP: 84.47
• TPSA: 0.00 Ų
• Rotatable Bonds: 11
• Heavy Atoms: 223
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	6201.91
LogP ≤ 5	84.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-2-(fluoromethyl)benzene;bis(1,3-dibromo-2-fluoro-5-methylbenzene);1,3-dibromo-5-fluoro-2-methylbenzene;hexakis(1,4-dibromo-2-(fluoromethyl)benzene);1,4-dibromo-2-fluoro-5-methylbenzene;tris(2,3-dibromo-1-fluoro-4-methylbenzene);tetrakis(2,4-dibromo-1-(fluoromethyl)benzene);methane;1,2,3-tribromo-5-fluorobenzene;bis(1,2,4-tribromo-3-fluorobenzene);1,2,5-tribromo-3-fluorobenzene?

The IUPAC name of 1,3-dibromo-2-(fluoromethyl)benzene;bis(1,3-dibromo-2-fluoro-5-methylbenzene);1,3-dibromo-5-fluoro-2-methylbenzene;hexakis(1,4-dibromo-2-(fluoromethyl)benzene);1,4-dibromo-2-fluoro-5-methylbenzene;tris(2,3-dibromo-1-fluoro-4-methylbenzene);tetrakis(2,4-dibromo-1-(fluoromethyl)benzene);methane;1,2,3-tribromo-5-fluorobenzene;bis(1,2,4-tribromo-3-fluorobenzene);1,2,5-tribromo-3-fluorobenzene (CID 160512672) is 1,3-dibromo-2-(fluoromethyl)benzene;bis(1,3-dibromo-2-fluoro-5-methylbenzene);1,3-dibromo-5-fluoro-2-methylbenzene;hexakis(1,4-dibromo-2-(fluoromethyl)benzene);1,4-dibromo-2-fluoro-5-methylbenzene;tris(2,3-dibromo-1-fluoro-4-methylbenzene);tetrakis(2,4-dibromo-1-(fluoromethyl)benzene);methane;1,2,3-tribromo-5-fluorobenzene;bis(1,2,4-tribromo-3-fluorobenzene);1,2,5-tribromo-3-fluorobenzene.

What is the SMILES notation for 1,3-dibromo-2-(fluoromethyl)benzene;bis(1,3-dibromo-2-fluoro-5-methylbenzene);1,3-dibromo-5-fluoro-2-methylbenzene;hexakis(1,4-dibromo-2-(fluoromethyl)benzene);1,4-dibromo-2-fluoro-5-methylbenzene;tris(2,3-dibromo-1-fluoro-4-methylbenzene);tetrakis(2,4-dibromo-1-(fluoromethyl)benzene);methane;1,2,3-tribromo-5-fluorobenzene;bis(1,2,4-tribromo-3-fluorobenzene);1,2,5-tribromo-3-fluorobenzene?

The canonical SMILES for 1,3-dibromo-2-(fluoromethyl)benzene;bis(1,3-dibromo-2-fluoro-5-methylbenzene);1,3-dibromo-5-fluoro-2-methylbenzene;hexakis(1,4-dibromo-2-(fluoromethyl)benzene);1,4-dibromo-2-fluoro-5-methylbenzene;tris(2,3-dibromo-1-fluoro-4-methylbenzene);tetrakis(2,4-dibromo-1-(fluoromethyl)benzene);methane;1,2,3-tribromo-5-fluorobenzene;bis(1,2,4-tribromo-3-fluorobenzene);1,2,5-tribromo-3-fluorobenzene is C.C.C.Cc1c(Br)cc(F)cc1Br.Cc1cc(Br)c(F)c(Br)c1.Cc1cc(Br)c(F)c(Br)c1.Cc1cc(Br)c(F)cc1Br.Cc1ccc(F)c(Br)c1Br.Cc1ccc(F)c(Br)c1Br.Cc1ccc(F)c(Br)c1Br.FCc1c(Br)cccc1Br.FCc1cc(Br)ccc1Br.FCc1cc(Br)ccc1Br.FCc1cc(Br)ccc1Br.FCc1cc(Br)ccc1Br.FCc1cc(Br)ccc1Br.FCc1cc(Br)ccc1Br.FCc1ccc(Br)cc1Br.FCc1ccc(Br)cc1Br.FCc1ccc(Br)cc1Br.FCc1ccc(Br)cc1Br.Fc1c(Br)ccc(Br)c1Br.Fc1c(Br)ccc(Br)c1Br.Fc1cc(Br)c(Br)c(Br)c1.Fc1cc(Br)cc(Br)c1Br.

What is the InChIKey of 1,3-dibromo-2-(fluoromethyl)benzene;bis(1,3-dibromo-2-fluoro-5-methylbenzene);1,3-dibromo-5-fluoro-2-methylbenzene;hexakis(1,4-dibromo-2-(fluoromethyl)benzene);1,4-dibromo-2-fluoro-5-methylbenzene;tris(2,3-dibromo-1-fluoro-4-methylbenzene);tetrakis(2,4-dibromo-1-(fluoromethyl)benzene);methane;1,2,3-tribromo-5-fluorobenzene;bis(1,2,4-tribromo-3-fluorobenzene);1,2,5-tribromo-3-fluorobenzene?

The InChIKey is QTGFLMQKSUNQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/18C7H5Br2F.4C6H2Br3F.3CH4/c1-4-6(8)2-5(10)3-7(4)9;1-4-2-6(9)7(10)3-5(4)8;2*1-4-2-5(8)7(10)6(9)3-4;3*1-4-2-3-5(10)7(9)6(4)8;6*8-6-1-2-7(9)5(3-6)4-10;4*8-6-2-1-5(4-10)7(9)3-6;8-6-2-1-3-7(9)5(6)4-10;7-4-1-3(10)2-5(8)6(4)9;7-3-1-4(8)6(9)5(10)2-3;2*7-3-1-2-4(8)6(10)5(3)9;;;/h7*2-3H,1H3;11*1-3H,4H2;4*1-2H;3*1H4.

What are the key properties of 1,3-dibromo-2-(fluoromethyl)benzene;bis(1,3-dibromo-2-fluoro-5-methylbenzene);1,3-dibromo-5-fluoro-2-methylbenzene;hexakis(1,4-dibromo-2-(fluoromethyl)benzene);1,4-dibromo-2-fluoro-5-methylbenzene;tris(2,3-dibromo-1-fluoro-4-methylbenzene);tetrakis(2,4-dibromo-1-(fluoromethyl)benzene);methane;1,2,3-tribromo-5-fluorobenzene;bis(1,2,4-tribromo-3-fluorobenzene);1,2,5-tribromo-3-fluorobenzene?

1,3-dibromo-2-(fluoromethyl)benzene;bis(1,3-dibromo-2-fluoro-5-methylbenzene);1,3-dibromo-5-fluoro-2-methylbenzene;hexakis(1,4-dibromo-2-(fluoromethyl)benzene);1,4-dibromo-2-fluoro-5-methylbenzene;tris(2,3-dibromo-1-fluoro-4-methylbenzene);tetrakis(2,4-dibromo-1-(fluoromethyl)benzene);methane;1,2,3-tribromo-5-fluorobenzene;bis(1,2,4-tribromo-3-fluorobenzene);1,2,5-tribromo-3-fluorobenzene has a molecular weight of 6201.91 g/mol, XLogP of 84.47, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dibromo-2-(fluoromethyl)benzene;bis(1,3-dibromo-2-fluoro-5-methylbenzene);1,3-dibromo-5-fluoro-2-methylbenzene;hexakis(1,4-dibromo-2-(fluoromethyl)benzene);1,4-dibromo-2-fluoro-5-methylbenzene;tris(2,3-dibromo-1-fluoro-4-methylbenzene);tetrakis(2,4-dibromo-1-(fluoromethyl)benzene);methane;1,2,3-tribromo-5-fluorobenzene;bis(1,2,4-tribromo-3-fluorobenzene);1,2,5-tribromo-3-fluorobenzene is sourced from PubChem (CID 160512672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).