1,4-bis(trifluoromethyl)benzene-6-ide;bromozinc(1+)

C8H3BrF6Zn — CID 146001685

IUPAC1,4-bis(trifluoromethyl)benzene-6-ide;bromozinc(1+)
SMILESFC(F)(F)c1[c-]cc(C(F)(F)F)cc1.[Zn+]Br
InChIInChI=1S/C8H3F6.BrH.Zn/c9-7(10,11)5-1-2-6(4-3-5)8(12,13)14;;/h1-3H;1H;/q-1;;+2/p-1
InChIKeyBWRLYJOLWNMTFU-UHFFFAOYSA-M
MW358.39 g/mol
LogP4.37
Rot. Bonds

About 1,4-bis(trifluoromethyl)benzene-6-ide;bromozinc(1+)

1,4-bis(trifluoromethyl)benzene-6-ide;bromozinc(1+) (PubChem CID 146001685) has the molecular formula C8H3BrF6Zn and a molecular weight of 358.39 g/mol. Its IUPAC name is 1,4-bis(trifluoromethyl)benzene-6-ide;bromozinc(1+).

Molecular Properties

Compound Name1,4-bis(trifluoromethyl)benzene-6-ide;bromozinc(1+)
PubChem CID146001685
Molecular FormulaC8H3BrF6Zn
Molecular Weight358.39 g/mol
Exact Mass355.86
IUPAC Name1,4-bis(trifluoromethyl)benzene-6-ide;bromozinc(1+)
SMILESFC(F)(F)c1[c-]cc(C(F)(F)F)cc1.[Zn+]Br
InChIInChI=1S/C8H3F6.BrH.Zn/c9-7(10,11)5-1-2-6(4-3-5)8(12,13)14;;/h1-3H;1H;/q-1;;+2/p-1
InChIKeyBWRLYJOLWNMTFU-UHFFFAOYSA-M
XLogP4.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

lithium 1-fluoro-4-(trifluoromethyl)benzene-6-ide
CID 87391050
1,3-bis(trifluoromethyl)benzene-6-ide;bromozinc(1+)
CID 146001671
1-chloro-4-(trifluoromethyl)benzene-6-ide;iodomanganese(1+)
CID 169034021
chloromethane;1-chloro-4-(trifluoromethyl)benzene
CID 162019017
1-[bromo(difluoro)methyl]-4-(trifluoromethyl)benzene
CID 640457
lithium;iodozinc(1+);trifluoromethylbenzene;chloride
CID 135076249
trifluoromethylbenzene;zinc;hydrochloride
CID 87245768
CID 154390518
CID 154390518
2-chloro-1-iodo-4-(trifluoromethyl)benzene
CID 2736612
2-bromo-1-methyl-4-(trifluoromethyl)benzene
CID 2779376
magnesium;1,3,5-tris(trifluoromethyl)benzene-6-ide;bromide
CID 15865245
1-[bromo(diphenyl)methyl]-4-(trifluoromethyl)benzene
CID 154308793

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(trifluoromethyl)benzene-6-ide;bromozinc(1+)?
The IUPAC name of 1,4-bis(trifluoromethyl)benzene-6-ide;bromozinc(1+) (CID 146001685) is 1,4-bis(trifluoromethyl)benzene-6-ide;bromozinc(1+).
What is the SMILES notation for 1,4-bis(trifluoromethyl)benzene-6-ide;bromozinc(1+)?
The canonical SMILES for 1,4-bis(trifluoromethyl)benzene-6-ide;bromozinc(1+) is FC(F)(F)c1[c-]cc(C(F)(F)F)cc1.[Zn+]Br.
What is the InChIKey of 1,4-bis(trifluoromethyl)benzene-6-ide;bromozinc(1+)?
The InChIKey is BWRLYJOLWNMTFU-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H3F6.BrH.Zn/c9-7(10,11)5-1-2-6(4-3-5)8(12,13)14;;/h1-3H;1H;/q-1;;+2/p-1.
What are the key properties of 1,4-bis(trifluoromethyl)benzene-6-ide;bromozinc(1+)?
1,4-bis(trifluoromethyl)benzene-6-ide;bromozinc(1+) has a molecular weight of 358.39 g/mol, XLogP of 4.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(trifluoromethyl)benzene-6-ide;bromozinc(1+) is sourced from PubChem (CID 146001685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).