magnesium;2,2,3,3,4,4,4-heptafluorobutanal;hydride

C4H3F7MgO — CID 173392987

IUPACmagnesium;2,2,3,3,4,4,4-heptafluorobutanal;hydride
SMILESO=CC(F)(F)C(F)(F)C(F)(F)F.[H-].[H-].[Mg+2]
InChIInChI=1S/C4HF7O.Mg.2H/c5-2(6,1-12)3(7,8)4(9,10)11;;;/h1H;;;/q;+2;2*-1
InChIKeyIITCUQNGRSIRLZ-UHFFFAOYSA-N
MW224.36 g/mol
LogP1.86
Rot. Bonds2

About magnesium;2,2,3,3,4,4,4-heptafluorobutanal;hydride

magnesium;2,2,3,3,4,4,4-heptafluorobutanal;hydride (PubChem CID 173392987) has the molecular formula C4H3F7MgO and a molecular weight of 224.36 g/mol. Its IUPAC name is magnesium;2,2,3,3,4,4,4-heptafluorobutanal;hydride.

Molecular Properties

Compound Namemagnesium;2,2,3,3,4,4,4-heptafluorobutanal;hydride
PubChem CID173392987
Molecular FormulaC4H3F7MgO
Molecular Weight224.36 g/mol
Exact Mass223.99
IUPAC Namemagnesium;2,2,3,3,4,4,4-heptafluorobutanal;hydride
SMILESO=CC(F)(F)C(F)(F)C(F)(F)F.[H-].[H-].[Mg+2]
InChIInChI=1S/C4HF7O.Mg.2H/c5-2(6,1-12)3(7,8)4(9,10)11;;;/h1H;;;/q;+2;2*-1
InChIKeyIITCUQNGRSIRLZ-UHFFFAOYSA-N
XLogP1.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.36
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanal
CID 23080700
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-pentacosafluorotridecanal
CID 91543394
3,3,4,4,4-pentafluoro-2,2-dimethylbutanal
CID 87372112
2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanal;hydrate
CID 45074727
1,1,1,4,4,5,5,6,6,6-decafluorohex-2-ene
CID 73177908
ethyl 2,2,3,3,4,4,5,5-octafluoro-6-oxohexanoate
CID 171417892
1,1,1,2,2,3,3,3-octafluoropropane
CID 6432
2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanal
CID 15717421
7-cyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanal
CID 10927754
2,2,3,3-tetrafluoro-4-oxobutanoyl chloride
CID 154334741
N-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)formamide
CID 123563469
1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrofluoride
CID 175814235

Frequently Asked Questions

What is the IUPAC name of magnesium;2,2,3,3,4,4,4-heptafluorobutanal;hydride?
The IUPAC name of magnesium;2,2,3,3,4,4,4-heptafluorobutanal;hydride (CID 173392987) is magnesium;2,2,3,3,4,4,4-heptafluorobutanal;hydride.
What is the SMILES notation for magnesium;2,2,3,3,4,4,4-heptafluorobutanal;hydride?
The canonical SMILES for magnesium;2,2,3,3,4,4,4-heptafluorobutanal;hydride is O=CC(F)(F)C(F)(F)C(F)(F)F.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;2,2,3,3,4,4,4-heptafluorobutanal;hydride?
The InChIKey is IITCUQNGRSIRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF7O.Mg.2H/c5-2(6,1-12)3(7,8)4(9,10)11;;;/h1H;;;/q;+2;2*-1.
What are the key properties of magnesium;2,2,3,3,4,4,4-heptafluorobutanal;hydride?
magnesium;2,2,3,3,4,4,4-heptafluorobutanal;hydride has a molecular weight of 224.36 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2,2,3,3,4,4,4-heptafluorobutanal;hydride is sourced from PubChem (CID 173392987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).