CID 87457293

C6BrF5Mg — CID 87457293

IUPAC—
SMILESFc1c(F)c(F)c(Br)c(F)c1F.[Mg]
InChIInChI=1S/C6BrF5.Mg/c7-1-2(8)4(10)6(12)5(11)3(1)9;
InChIKeyNTHREYPJFCBZLI-UHFFFAOYSA-N
MW271.26 g/mol
LogP2.76
Rot. Bonds

About CID 87457293

CID 87457293 (PubChem CID 87457293) has the molecular formula C6BrF5Mg and a molecular weight of 271.26 g/mol.

Molecular Properties

Compound NameCID 87457293
PubChem CID87457293
Molecular FormulaC6BrF5Mg
Molecular Weight271.26 g/mol
Exact Mass269.90
IUPAC Name—
SMILESFc1c(F)c(F)c(Br)c(F)c1F.[Mg]
InChIInChI=1S/C6BrF5.Mg/c7-1-2(8)4(10)6(12)5(11)3(1)9;
InChIKeyNTHREYPJFCBZLI-UHFFFAOYSA-N
XLogP2.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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9,10-dibromo-1,2,3,4,5,6,7,8-octafluoroanthracene
CID 91225361
1,3,5-tris(3,5-dibromo-2,4,6-trifluorophenyl)-2,4,6-trifluorobenzene
CID 15490458
(1S)-1-(3-bromo-2,4,5,6-tetrafluorophenyl)ethanamine
CID 130664379
2-(4-bromo-2,3,5,6-tetrafluorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)acetonitrile
CID 23269805
1-bromo-2,3,5-trifluoro-6-iodo-4-methylbenzene
CID 175511467
(2S)-2-amino-2-(3-bromo-2,4,5,6-tetrafluorophenyl)ethanol
CID 66515715
1-bromo-4-[chloro(difluoro)methoxy]-2,3,5,6-tetrafluorobenzene
CID 75365424
(1R)-1-(4-bromo-2,3,5,6-tetrafluorophenyl)-2,2,2-trifluoroethanamine
CID 66512670
1-bromo-2,3,5-trifluoro-4,6-dimethylbenzene
CID 77134458
2,3,4-tribromo-5,6-difluorophenol
CID 86243413

Frequently Asked Questions

What is the IUPAC name of CID 87457293?
The IUPAC name of CID 87457293 (CID 87457293) is not available.
What is the SMILES notation for CID 87457293?
The canonical SMILES for CID 87457293 is Fc1c(F)c(F)c(Br)c(F)c1F.[Mg].
What is the InChIKey of CID 87457293?
The InChIKey is NTHREYPJFCBZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6BrF5.Mg/c7-1-2(8)4(10)6(12)5(11)3(1)9;.
What are the key properties of CID 87457293?
CID 87457293 has a molecular weight of 271.26 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87457293 is sourced from PubChem (CID 87457293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).