2-[3-[difluoro(methyl)silyl]propyl]-2-methylpropanedinitrile

C8H12F2N2Si — CID 140812650

IUPAC2-[3-[difluoro(methyl)silyl]propyl]-2-methylpropanedinitrile
SMILESCC(C#N)(C#N)CCC[Si](C)(F)F
InChIInChI=1S/C8H12F2N2Si/c1-8(6-11,7-12)4-3-5-13(2,9)10/h3-5H2,1-2H3
InChIKeyMFBHBUGRIZQBQV-UHFFFAOYSA-N
MW202.28 g/mol
LogP2.83
Rot. Bonds4

About 2-[3-[difluoro(methyl)silyl]propyl]-2-methylpropanedinitrile

2-[3-[difluoro(methyl)silyl]propyl]-2-methylpropanedinitrile (PubChem CID 140812650) has the molecular formula C8H12F2N2Si and a molecular weight of 202.28 g/mol. Its IUPAC name is 2-[3-[difluoro(methyl)silyl]propyl]-2-methylpropanedinitrile.

Molecular Properties

Compound Name2-[3-[difluoro(methyl)silyl]propyl]-2-methylpropanedinitrile
PubChem CID140812650
Molecular FormulaC8H12F2N2Si
Molecular Weight202.28 g/mol
Exact Mass202.07
IUPAC Name2-[3-[difluoro(methyl)silyl]propyl]-2-methylpropanedinitrile
SMILESCC(C#N)(C#N)CCC[Si](C)(F)F
InChIInChI=1S/C8H12F2N2Si/c1-8(6-11,7-12)4-3-5-13(2,9)10/h3-5H2,1-2H3
InChIKeyMFBHBUGRIZQBQV-UHFFFAOYSA-N
XLogP2.83
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 2-[3-[difluoro(methyl)silyl]propyl]-2-methylpropanedinitrile?
The IUPAC name of 2-[3-[difluoro(methyl)silyl]propyl]-2-methylpropanedinitrile (CID 140812650) is 2-[3-[difluoro(methyl)silyl]propyl]-2-methylpropanedinitrile.
What is the SMILES notation for 2-[3-[difluoro(methyl)silyl]propyl]-2-methylpropanedinitrile?
The canonical SMILES for 2-[3-[difluoro(methyl)silyl]propyl]-2-methylpropanedinitrile is CC(C#N)(C#N)CCC[Si](C)(F)F.
What is the InChIKey of 2-[3-[difluoro(methyl)silyl]propyl]-2-methylpropanedinitrile?
The InChIKey is MFBHBUGRIZQBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2Si/c1-8(6-11,7-12)4-3-5-13(2,9)10/h3-5H2,1-2H3.
What are the key properties of 2-[3-[difluoro(methyl)silyl]propyl]-2-methylpropanedinitrile?
2-[3-[difluoro(methyl)silyl]propyl]-2-methylpropanedinitrile has a molecular weight of 202.28 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[difluoro(methyl)silyl]propyl]-2-methylpropanedinitrile is sourced from PubChem (CID 140812650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).