4-[chloro-di(propan-2-yl)silyl]butanenitrile;4-[fluoro-di(propan-2-yl)silyl]butanenitrile;hydrofluoride

C20H41ClF2N2Si2 — CID 159907716

IUPAC4-[chloro-di(propan-2-yl)silyl]butanenitrile;4-[fluoro-di(propan-2-yl)silyl]butanenitrile;hydrofluoride
SMILESCC(C)[Si](Cl)(CCCC#N)C(C)C.CC(C)[Si](F)(CCCC#N)C(C)C.F
InChIInChI=1S/C10H20ClNSi.C10H20FNSi.FH/c2*1-9(2)13(11,10(3)4)8-6-5-7-12;/h2*9-10H,5-6,8H2,1-4H3;1H
InChIKeyNWUCWIZIUGSUOB-UHFFFAOYSA-N
MW439.18 g/mol
LogP8.47
Rot. Bonds10

About 4-[chloro-di(propan-2-yl)silyl]butanenitrile;4-[fluoro-di(propan-2-yl)silyl]butanenitrile;hydrofluoride

4-[chloro-di(propan-2-yl)silyl]butanenitrile;4-[fluoro-di(propan-2-yl)silyl]butanenitrile;hydrofluoride (PubChem CID 159907716) has the molecular formula C20H41ClF2N2Si2 and a molecular weight of 439.18 g/mol. Its IUPAC name is 4-[chloro-di(propan-2-yl)silyl]butanenitrile;4-[fluoro-di(propan-2-yl)silyl]butanenitrile;hydrofluoride.

Molecular Properties

Compound Name4-[chloro-di(propan-2-yl)silyl]butanenitrile;4-[fluoro-di(propan-2-yl)silyl]butanenitrile;hydrofluoride
PubChem CID159907716
Molecular FormulaC20H41ClF2N2Si2
Molecular Weight439.18 g/mol
Exact Mass438.25
IUPAC Name4-[chloro-di(propan-2-yl)silyl]butanenitrile;4-[fluoro-di(propan-2-yl)silyl]butanenitrile;hydrofluoride
SMILESCC(C)[Si](Cl)(CCCC#N)C(C)C.CC(C)[Si](F)(CCCC#N)C(C)C.F
InChIInChI=1S/C10H20ClNSi.C10H20FNSi.FH/c2*1-9(2)13(11,10(3)4)8-6-5-7-12;/h2*9-10H,5-6,8H2,1-4H3;1H
InChIKeyNWUCWIZIUGSUOB-UHFFFAOYSA-N
XLogP8.47
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.18
LogP ≤ 58.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[chloro-di(propan-2-yl)silyl]butanenitrile;4-[fluoro-di(propan-2-yl)silyl]butanenitrile;hydrofluoride?
The IUPAC name of 4-[chloro-di(propan-2-yl)silyl]butanenitrile;4-[fluoro-di(propan-2-yl)silyl]butanenitrile;hydrofluoride (CID 159907716) is 4-[chloro-di(propan-2-yl)silyl]butanenitrile;4-[fluoro-di(propan-2-yl)silyl]butanenitrile;hydrofluoride.
What is the SMILES notation for 4-[chloro-di(propan-2-yl)silyl]butanenitrile;4-[fluoro-di(propan-2-yl)silyl]butanenitrile;hydrofluoride?
The canonical SMILES for 4-[chloro-di(propan-2-yl)silyl]butanenitrile;4-[fluoro-di(propan-2-yl)silyl]butanenitrile;hydrofluoride is CC(C)[Si](Cl)(CCCC#N)C(C)C.CC(C)[Si](F)(CCCC#N)C(C)C.F.
What is the InChIKey of 4-[chloro-di(propan-2-yl)silyl]butanenitrile;4-[fluoro-di(propan-2-yl)silyl]butanenitrile;hydrofluoride?
The InChIKey is NWUCWIZIUGSUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNSi.C10H20FNSi.FH/c2*1-9(2)13(11,10(3)4)8-6-5-7-12;/h2*9-10H,5-6,8H2,1-4H3;1H.
What are the key properties of 4-[chloro-di(propan-2-yl)silyl]butanenitrile;4-[fluoro-di(propan-2-yl)silyl]butanenitrile;hydrofluoride?
4-[chloro-di(propan-2-yl)silyl]butanenitrile;4-[fluoro-di(propan-2-yl)silyl]butanenitrile;hydrofluoride has a molecular weight of 439.18 g/mol, XLogP of 8.47, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[chloro-di(propan-2-yl)silyl]butanenitrile;4-[fluoro-di(propan-2-yl)silyl]butanenitrile;hydrofluoride is sourced from PubChem (CID 159907716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).