About but-3-enenitrile;chloro(dimethyl)silane;fluoro(dimethyl)silane;4-[fluoro(dimethyl)silyl]butanenitrile;platinum;hydrofluoride
but-3-enenitrile;chloro(dimethyl)silane;fluoro(dimethyl)silane;4-[fluoro(dimethyl)silyl]butanenitrile;platinum;hydrofluoride (PubChem CID 160615277) has the molecular formula C14H32ClF3N2PtSi3
and a molecular weight of 600.21 g/mol. Its IUPAC name is but-3-enenitrile;chloro(dimethyl)silane;fluoro(dimethyl)silane;4-[fluoro(dimethyl)silyl]butanenitrile;platinum;hydrofluoride.
Molecular Properties
| Compound Name | but-3-enenitrile;chloro(dimethyl)silane;fluoro(dimethyl)silane;4-[fluoro(dimethyl)silyl]butanenitrile;platinum;hydrofluoride |
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| PubChem CID | 160615277 |
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| Molecular Formula | C14H32ClF3N2PtSi3 |
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| Molecular Weight | 600.21 g/mol |
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| Exact Mass | 599.12 |
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| IUPAC Name | but-3-enenitrile;chloro(dimethyl)silane;fluoro(dimethyl)silane;4-[fluoro(dimethyl)silyl]butanenitrile;platinum;hydrofluoride |
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| SMILES | C=CCC#N.C[SiH](C)Cl.C[SiH](C)F.C[Si](C)(F)CCCC#N.F.[Pt] |
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| InChI | InChI=1S/C6H12FNSi.C4H5N.C2H7ClSi.C2H7FSi.FH.Pt/c1-9(2,7)6-4-3-5-8;1-2-3-4-5;2*1-4(2)3;;/h3-4,6H2,1-2H3;2H,1,3H2;2*4H,1-2H3;1H; |
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| InChIKey | RFZVYNOKLGFPNV-UHFFFAOYSA-N |
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| XLogP | 5.85 |
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| TPSA | 47.58 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 24 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 600.21 |
| LogP ≤ 5 | 5.85 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of but-3-enenitrile;chloro(dimethyl)silane;fluoro(dimethyl)silane;4-[fluoro(dimethyl)silyl]butanenitrile;platinum;hydrofluoride?
The IUPAC name of but-3-enenitrile;chloro(dimethyl)silane;fluoro(dimethyl)silane;4-[fluoro(dimethyl)silyl]butanenitrile;platinum;hydrofluoride (CID 160615277) is but-3-enenitrile;chloro(dimethyl)silane;fluoro(dimethyl)silane;4-[fluoro(dimethyl)silyl]butanenitrile;platinum;hydrofluoride.
What is the SMILES notation for but-3-enenitrile;chloro(dimethyl)silane;fluoro(dimethyl)silane;4-[fluoro(dimethyl)silyl]butanenitrile;platinum;hydrofluoride?
The canonical SMILES for but-3-enenitrile;chloro(dimethyl)silane;fluoro(dimethyl)silane;4-[fluoro(dimethyl)silyl]butanenitrile;platinum;hydrofluoride is C=CCC#N.C[SiH](C)Cl.C[SiH](C)F.C[Si](C)(F)CCCC#N.F.[Pt].
What is the InChIKey of but-3-enenitrile;chloro(dimethyl)silane;fluoro(dimethyl)silane;4-[fluoro(dimethyl)silyl]butanenitrile;platinum;hydrofluoride?
The InChIKey is RFZVYNOKLGFPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNSi.C4H5N.C2H7ClSi.C2H7FSi.FH.Pt/c1-9(2,7)6-4-3-5-8;1-2-3-4-5;2*1-4(2)3;;/h3-4,6H2,1-2H3;2H,1,3H2;2*4H,1-2H3;1H;.
What are the key properties of but-3-enenitrile;chloro(dimethyl)silane;fluoro(dimethyl)silane;4-[fluoro(dimethyl)silyl]butanenitrile;platinum;hydrofluoride?
but-3-enenitrile;chloro(dimethyl)silane;fluoro(dimethyl)silane;4-[fluoro(dimethyl)silyl]butanenitrile;platinum;hydrofluoride has a molecular weight of 600.21 g/mol, XLogP of 5.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enenitrile;chloro(dimethyl)silane;fluoro(dimethyl)silane;4-[fluoro(dimethyl)silyl]butanenitrile;platinum;hydrofluoride is sourced from PubChem (CID 160615277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).