butyl(trifluoro)silane;4-[chloro(dimethyl)silyl]butanenitrile

C10H21ClF3NSi2 — CID 158149186

IUPACbutyl(trifluoro)silane;4-[chloro(dimethyl)silyl]butanenitrile
SMILESCCCC[Si](F)(F)F.C[Si](C)(Cl)CCCC#N
InChIInChI=1S/C6H12ClNSi.C4H9F3Si/c1-9(2,7)6-4-3-5-8;1-2-3-4-8(5,6)7/h3-4,6H2,1-2H3;2-4H2,1H3
InChIKeyFUWTXUWEIZDTEK-UHFFFAOYSA-N
MW303.90 g/mol
LogP5.37
Rot. Bonds6

About butyl(trifluoro)silane;4-[chloro(dimethyl)silyl]butanenitrile

butyl(trifluoro)silane;4-[chloro(dimethyl)silyl]butanenitrile (PubChem CID 158149186) has the molecular formula C10H21ClF3NSi2 and a molecular weight of 303.90 g/mol. Its IUPAC name is butyl(trifluoro)silane;4-[chloro(dimethyl)silyl]butanenitrile.

Molecular Properties

Compound Namebutyl(trifluoro)silane;4-[chloro(dimethyl)silyl]butanenitrile
PubChem CID158149186
Molecular FormulaC10H21ClF3NSi2
Molecular Weight303.90 g/mol
Exact Mass303.09
IUPAC Namebutyl(trifluoro)silane;4-[chloro(dimethyl)silyl]butanenitrile
SMILESCCCC[Si](F)(F)F.C[Si](C)(Cl)CCCC#N
InChIInChI=1S/C6H12ClNSi.C4H9F3Si/c1-9(2,7)6-4-3-5-8;1-2-3-4-8(5,6)7/h3-4,6H2,1-2H3;2-4H2,1H3
InChIKeyFUWTXUWEIZDTEK-UHFFFAOYSA-N
XLogP5.37
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.90
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 butyl(trifluoro)silane;4-[chloro(dimethyl)silyl]butanenitrile?
The IUPAC name of butyl(trifluoro)silane;4-[chloro(dimethyl)silyl]butanenitrile (CID 158149186) is butyl(trifluoro)silane;4-[chloro(dimethyl)silyl]butanenitrile.
What is the SMILES notation for butyl(trifluoro)silane;4-[chloro(dimethyl)silyl]butanenitrile?
The canonical SMILES for butyl(trifluoro)silane;4-[chloro(dimethyl)silyl]butanenitrile is CCCC[Si](F)(F)F.C[Si](C)(Cl)CCCC#N.
What is the InChIKey of butyl(trifluoro)silane;4-[chloro(dimethyl)silyl]butanenitrile?
The InChIKey is FUWTXUWEIZDTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNSi.C4H9F3Si/c1-9(2,7)6-4-3-5-8;1-2-3-4-8(5,6)7/h3-4,6H2,1-2H3;2-4H2,1H3.
What are the key properties of butyl(trifluoro)silane;4-[chloro(dimethyl)silyl]butanenitrile?
butyl(trifluoro)silane;4-[chloro(dimethyl)silyl]butanenitrile has a molecular weight of 303.90 g/mol, XLogP of 5.37, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(trifluoro)silane;4-[chloro(dimethyl)silyl]butanenitrile is sourced from PubChem (CID 158149186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).