magnesium;1-bromo-4-(1,1,2,2,2-pentafluoroethoxy)benzene;hydride

C8H6BrF5MgO — CID 173455323

IUPACmagnesium;1-bromo-4-(1,1,2,2,2-pentafluoroethoxy)benzene;hydride
SMILESFC(F)(F)C(F)(F)Oc1ccc(Br)cc1.[H-].[H-].[Mg+2]
InChIInChI=1S/C8H4BrF5O.Mg.2H/c9-5-1-3-6(4-2-5)15-8(13,14)7(10,11)12;;;/h1-4H;;;/q;+2;2*-1
InChIKeyYAYYEVIVXWZEHZ-UHFFFAOYSA-N
MW317.33 g/mol
LogP3.83
Rot. Bonds2

About magnesium;1-bromo-4-(1,1,2,2,2-pentafluoroethoxy)benzene;hydride

magnesium;1-bromo-4-(1,1,2,2,2-pentafluoroethoxy)benzene;hydride (PubChem CID 173455323) has the molecular formula C8H6BrF5MgO and a molecular weight of 317.33 g/mol. Its IUPAC name is magnesium;1-bromo-4-(1,1,2,2,2-pentafluoroethoxy)benzene;hydride.

Molecular Properties

Compound Namemagnesium;1-bromo-4-(1,1,2,2,2-pentafluoroethoxy)benzene;hydride
PubChem CID173455323
Molecular FormulaC8H6BrF5MgO
Molecular Weight317.33 g/mol
Exact Mass315.94
IUPAC Namemagnesium;1-bromo-4-(1,1,2,2,2-pentafluoroethoxy)benzene;hydride
SMILESFC(F)(F)C(F)(F)Oc1ccc(Br)cc1.[H-].[H-].[Mg+2]
InChIInChI=1S/C8H4BrF5O.Mg.2H/c9-5-1-3-6(4-2-5)15-8(13,14)7(10,11)12;;;/h1-4H;;;/q;+2;2*-1
InChIKeyYAYYEVIVXWZEHZ-UHFFFAOYSA-N
XLogP3.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.33
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromophenoxy)-1,1-difluoro-2-methylpropan-2-ol
CID 169242990
1-bromo-4-(trifluoromethoxy)benzene;trifluoromethoxybenzene
CID 157398822
2-(4-bromophenoxy)-2,2-difluoroethanol
CID 118664754
1,3,5-tris(1,1,2,2,2-pentafluoroethoxy)benzene
CID 50742090
1-(2-bromo-1,1,2,2-tetrafluoroethoxy)-4-[4-(2-bromo-1,1,2,2-tetrafluoroethoxy)phenyl]benzene
CID 22467799
5-bromo-2-[(4-bromophenoxy)-difluoromethyl]-1,3-difluorobenzene
CID 86677430
1-bromo-4-[4-[difluoro(methylsulfanyl)methoxy]phenyl]benzene
CID 23242779
1-bromo-4-[4-[4-(trifluoromethoxy)phenyl]butyl]benzene
CID 90901718
4-(1,1,2,2,2-pentafluoroethoxy)aniline;[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]methanamine
CID 161101779
1-bromo-4-(1,1-difluoroethoxy)benzene;O-(4-bromophenyl) ethanethioate
CID 162098488
1,1-bis[4-(4-bromophenoxy)phenyl]-2,2,2-trifluoroethanol
CID 10438461
1-bromo-4-(4-bromophenoxy)benzene
CID 16305

Frequently Asked Questions

What is the IUPAC name of magnesium;1-bromo-4-(1,1,2,2,2-pentafluoroethoxy)benzene;hydride?
The IUPAC name of magnesium;1-bromo-4-(1,1,2,2,2-pentafluoroethoxy)benzene;hydride (CID 173455323) is magnesium;1-bromo-4-(1,1,2,2,2-pentafluoroethoxy)benzene;hydride.
What is the SMILES notation for magnesium;1-bromo-4-(1,1,2,2,2-pentafluoroethoxy)benzene;hydride?
The canonical SMILES for magnesium;1-bromo-4-(1,1,2,2,2-pentafluoroethoxy)benzene;hydride is FC(F)(F)C(F)(F)Oc1ccc(Br)cc1.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;1-bromo-4-(1,1,2,2,2-pentafluoroethoxy)benzene;hydride?
The InChIKey is YAYYEVIVXWZEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF5O.Mg.2H/c9-5-1-3-6(4-2-5)15-8(13,14)7(10,11)12;;;/h1-4H;;;/q;+2;2*-1.
What are the key properties of magnesium;1-bromo-4-(1,1,2,2,2-pentafluoroethoxy)benzene;hydride?
magnesium;1-bromo-4-(1,1,2,2,2-pentafluoroethoxy)benzene;hydride has a molecular weight of 317.33 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-bromo-4-(1,1,2,2,2-pentafluoroethoxy)benzene;hydride is sourced from PubChem (CID 173455323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).