magnesium;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane;bromide

C10H4BrF17Mg — CID 134870375

IUPACmagnesium;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane;bromide
SMILES[Br-].[CH2-]CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[Mg+2]
InChIInChI=1S/C10H4F17.BrH.Mg/c1-2-3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27;;/h1-2H2;1H;/q-1;;+2/p-1
InChIKeyQOVQDKHMARREJY-UHFFFAOYSA-M
MW551.32 g/mol
LogP2.84
Rot. Bonds7

About magnesium;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane;bromide

magnesium;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane;bromide (PubChem CID 134870375) has the molecular formula C10H4BrF17Mg and a molecular weight of 551.32 g/mol. Its IUPAC name is magnesium;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane;bromide.

Molecular Properties

Compound Namemagnesium;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane;bromide
PubChem CID134870375
Molecular FormulaC10H4BrF17Mg
Molecular Weight551.32 g/mol
Exact Mass549.91
IUPAC Namemagnesium;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane;bromide
SMILES[Br-].[CH2-]CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[Mg+2]
InChIInChI=1S/C10H4F17.BrH.Mg/c1-2-3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27;;/h1-2H2;1H;/q-1;;+2/p-1
InChIKeyQOVQDKHMARREJY-UHFFFAOYSA-M
XLogP2.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.32
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 177498065
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CID 22712913
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratetracontafluorohenicosane
CID 141072652
1,1,1,2,2,3,3,4,4,5,5,6,6,11,11,12,12,13,13,14,14,15,15,16,16,16-hexacosafluorohexadecane
CID 12596031
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,25,25,26,26,27,27,28,28,29,29,30,30,31,31-trihexacontafluorotritriacontane
CID 175957898
1,1,1,2,2,3,3,4,4,5,5,6,6,8-tetradecafluoro-8-iodooctane
CID 88505098
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,22-tetratriacontafluorodocosane
CID 99769054
ethane;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-pentacosafluorotetradecane
CID 142493287
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane;hydrochloride
CID 172708323
(8R)-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodononane
CID 97290812
1,1,1,2,2,3,3,4,4,5,5,6,6,13,13,14,14,15,15,16,16,17,17,18,18,18-hexacosafluoro-8,11-diiodooctadecane
CID 138396324
3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluorononan-1-amine
CID 154642605

Frequently Asked Questions

What is the IUPAC name of magnesium;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane;bromide?
The IUPAC name of magnesium;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane;bromide (CID 134870375) is magnesium;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane;bromide.
What is the SMILES notation for magnesium;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane;bromide?
The canonical SMILES for magnesium;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane;bromide is [Br-].[CH2-]CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[Mg+2].
What is the InChIKey of magnesium;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane;bromide?
The InChIKey is QOVQDKHMARREJY-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H4F17.BrH.Mg/c1-2-3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27;;/h1-2H2;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane;bromide?
magnesium;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane;bromide has a molecular weight of 551.32 g/mol, XLogP of 2.84, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane;bromide is sourced from PubChem (CID 134870375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).