bromozinc(1+);1,2,4,5-tetrafluoro-3-methanidyl-6-(trifluoromethyl)benzene

C8H2BrF7Zn — CID 146001695

IUPACbromozinc(1+);1,2,4,5-tetrafluoro-3-methanidyl-6-(trifluoromethyl)benzene
SMILES[CH2-]c1c(F)c(F)c(C(F)(F)F)c(F)c1F.[Zn+]Br
InChIInChI=1S/C8H2F7.BrH.Zn/c1-2-4(9)6(11)3(8(13,14)15)7(12)5(2)10;;/h1H2;1H;/q-1;;+2/p-1
InChIKeyMECRSIUSLHZQOX-UHFFFAOYSA-M
MW376.38 g/mol
LogP4.29
Rot. Bonds

About bromozinc(1+);1,2,4,5-tetrafluoro-3-methanidyl-6-(trifluoromethyl)benzene

bromozinc(1+);1,2,4,5-tetrafluoro-3-methanidyl-6-(trifluoromethyl)benzene (PubChem CID 146001695) has the molecular formula C8H2BrF7Zn and a molecular weight of 376.38 g/mol. Its IUPAC name is bromozinc(1+);1,2,4,5-tetrafluoro-3-methanidyl-6-(trifluoromethyl)benzene.

Molecular Properties

Compound Namebromozinc(1+);1,2,4,5-tetrafluoro-3-methanidyl-6-(trifluoromethyl)benzene
PubChem CID146001695
Molecular FormulaC8H2BrF7Zn
Molecular Weight376.38 g/mol
Exact Mass373.85
IUPAC Namebromozinc(1+);1,2,4,5-tetrafluoro-3-methanidyl-6-(trifluoromethyl)benzene
SMILES[CH2-]c1c(F)c(F)c(C(F)(F)F)c(F)c1F.[Zn+]Br
InChIInChI=1S/C8H2F7.BrH.Zn/c1-2-4(9)6(11)3(8(13,14)15)7(12)5(2)10;;/h1H2;1H;/q-1;;+2/p-1
InChIKeyMECRSIUSLHZQOX-UHFFFAOYSA-M
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze bromozinc(1+);1,2,4,5-tetrafluoro-3-methanidyl-6-(trifluoromethyl)benzene 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

ethane;1,2,3,5-tetrafluoro-4,6-bis(trifluoromethyl)benzene
CID 145102025
1,2,3,4,5,6,8-heptafluoro-7-(trifluoromethyl)naphthalene
CID 4313794
[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane
CID 154500712
1,3,5-trifluoro-2-[2,4,6-trifluoro-3,5-bis(trifluoromethyl)phenyl]-4,6-bis(trifluoromethyl)benzene
CID 178120433
1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]sulfanylbenzene
CID 177256045
ethyl-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]phosphane
CID 88850684
1,2,3,5-tetrafluoro-4-[2,3,4,6-tetrafluoro-5-(trifluoromethyl)phenoxy]-6-(trifluoromethyl)benzene
CID 174560482
1-butyl-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene
CID 14092719
2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzoic acid
CID 2776796
2,3,4,5-tetrafluoro-6-(trifluoromethyl)phenol
CID 90973259
1-fluoro-4-[4-fluoro-2,3,5,6-tetrakis(trifluoromethyl)phenyl]-2,3,5,6-tetrakis(trifluoromethyl)benzene
CID 139900087
CID 91484567
CID 91484567

Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);1,2,4,5-tetrafluoro-3-methanidyl-6-(trifluoromethyl)benzene?
The IUPAC name of bromozinc(1+);1,2,4,5-tetrafluoro-3-methanidyl-6-(trifluoromethyl)benzene (CID 146001695) is bromozinc(1+);1,2,4,5-tetrafluoro-3-methanidyl-6-(trifluoromethyl)benzene.
What is the SMILES notation for bromozinc(1+);1,2,4,5-tetrafluoro-3-methanidyl-6-(trifluoromethyl)benzene?
The canonical SMILES for bromozinc(1+);1,2,4,5-tetrafluoro-3-methanidyl-6-(trifluoromethyl)benzene is [CH2-]c1c(F)c(F)c(C(F)(F)F)c(F)c1F.[Zn+]Br.
What is the InChIKey of bromozinc(1+);1,2,4,5-tetrafluoro-3-methanidyl-6-(trifluoromethyl)benzene?
The InChIKey is MECRSIUSLHZQOX-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H2F7.BrH.Zn/c1-2-4(9)6(11)3(8(13,14)15)7(12)5(2)10;;/h1H2;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);1,2,4,5-tetrafluoro-3-methanidyl-6-(trifluoromethyl)benzene?
bromozinc(1+);1,2,4,5-tetrafluoro-3-methanidyl-6-(trifluoromethyl)benzene has a molecular weight of 376.38 g/mol, XLogP of 4.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);1,2,4,5-tetrafluoro-3-methanidyl-6-(trifluoromethyl)benzene is sourced from PubChem (CID 146001695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).