4-[dichloro(methyl)silyl]butanenitrile;4-[difluoro(methyl)silyl]butanenitrile;methane

C14H34Cl2F2N2Si2 — CID 159305172

IUPAC4-[dichloro(methyl)silyl]butanenitrile;4-[difluoro(methyl)silyl]butanenitrile;methane
SMILESC.C.C.C.C[Si](Cl)(Cl)CCCC#N.C[Si](F)(F)CCCC#N
InChIInChI=1S/C5H9Cl2NSi.C5H9F2NSi.4CH4/c2*1-9(6,7)5-3-2-4-8;;;;/h2*2-3,5H2,1H3;4*1H4
InChIKeyLBVFSTWWADDVNQ-UHFFFAOYSA-N
MW395.51 g/mol
LogP7.69
Rot. Bonds6

About 4-[dichloro(methyl)silyl]butanenitrile;4-[difluoro(methyl)silyl]butanenitrile;methane

4-[dichloro(methyl)silyl]butanenitrile;4-[difluoro(methyl)silyl]butanenitrile;methane (PubChem CID 159305172) has the molecular formula C14H34Cl2F2N2Si2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 4-[dichloro(methyl)silyl]butanenitrile;4-[difluoro(methyl)silyl]butanenitrile;methane.

Molecular Properties

Compound Name4-[dichloro(methyl)silyl]butanenitrile;4-[difluoro(methyl)silyl]butanenitrile;methane
PubChem CID159305172
Molecular FormulaC14H34Cl2F2N2Si2
Molecular Weight395.51 g/mol
Exact Mass394.16
IUPAC Name4-[dichloro(methyl)silyl]butanenitrile;4-[difluoro(methyl)silyl]butanenitrile;methane
SMILESC.C.C.C.C[Si](Cl)(Cl)CCCC#N.C[Si](F)(F)CCCC#N
InChIInChI=1S/C5H9Cl2NSi.C5H9F2NSi.4CH4/c2*1-9(6,7)5-3-2-4-8;;;;/h2*2-3,5H2,1H3;4*1H4
InChIKeyLBVFSTWWADDVNQ-UHFFFAOYSA-N
XLogP7.69
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.51
LogP ≤ 57.69
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-[dichloro(methyl)silyl]butanenitrile;4-[difluoro(methyl)silyl]butanenitrile;methane?
The IUPAC name of 4-[dichloro(methyl)silyl]butanenitrile;4-[difluoro(methyl)silyl]butanenitrile;methane (CID 159305172) is 4-[dichloro(methyl)silyl]butanenitrile;4-[difluoro(methyl)silyl]butanenitrile;methane.
What is the SMILES notation for 4-[dichloro(methyl)silyl]butanenitrile;4-[difluoro(methyl)silyl]butanenitrile;methane?
The canonical SMILES for 4-[dichloro(methyl)silyl]butanenitrile;4-[difluoro(methyl)silyl]butanenitrile;methane is C.C.C.C.C[Si](Cl)(Cl)CCCC#N.C[Si](F)(F)CCCC#N.
What is the InChIKey of 4-[dichloro(methyl)silyl]butanenitrile;4-[difluoro(methyl)silyl]butanenitrile;methane?
The InChIKey is LBVFSTWWADDVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9Cl2NSi.C5H9F2NSi.4CH4/c2*1-9(6,7)5-3-2-4-8;;;;/h2*2-3,5H2,1H3;4*1H4.
What are the key properties of 4-[dichloro(methyl)silyl]butanenitrile;4-[difluoro(methyl)silyl]butanenitrile;methane?
4-[dichloro(methyl)silyl]butanenitrile;4-[difluoro(methyl)silyl]butanenitrile;methane has a molecular weight of 395.51 g/mol, XLogP of 7.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dichloro(methyl)silyl]butanenitrile;4-[difluoro(methyl)silyl]butanenitrile;methane is sourced from PubChem (CID 159305172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).