3-[[fluoro(dimethyl)silyl]methyl]hexanedinitrile

C9H15FN2Si — CID 140812669

IUPAC3-[[fluoro(dimethyl)silyl]methyl]hexanedinitrile
SMILESC[Si](C)(F)CC(CC#N)CCC#N
InChIInChI=1S/C9H15FN2Si/c1-13(2,10)8-9(5-7-12)4-3-6-11/h9H,3-5,8H2,1-2H3
InChIKeyQVECXSYJGYJWPR-UHFFFAOYSA-N
MW198.32 g/mol
LogP2.99
Rot. Bonds5

About 3-[[fluoro(dimethyl)silyl]methyl]hexanedinitrile

3-[[fluoro(dimethyl)silyl]methyl]hexanedinitrile (PubChem CID 140812669) has the molecular formula C9H15FN2Si and a molecular weight of 198.32 g/mol. Its IUPAC name is 3-[[fluoro(dimethyl)silyl]methyl]hexanedinitrile.

Molecular Properties

Compound Name3-[[fluoro(dimethyl)silyl]methyl]hexanedinitrile
PubChem CID140812669
Molecular FormulaC9H15FN2Si
Molecular Weight198.32 g/mol
Exact Mass198.10
IUPAC Name3-[[fluoro(dimethyl)silyl]methyl]hexanedinitrile
SMILESC[Si](C)(F)CC(CC#N)CCC#N
InChIInChI=1S/C9H15FN2Si/c1-13(2,10)8-9(5-7-12)4-3-6-11/h9H,3-5,8H2,1-2H3
InChIKeyQVECXSYJGYJWPR-UHFFFAOYSA-N
XLogP2.99
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.32
LogP ≤ 52.99
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 3-[[fluoro(dimethyl)silyl]methyl]hexanedinitrile?
The IUPAC name of 3-[[fluoro(dimethyl)silyl]methyl]hexanedinitrile (CID 140812669) is 3-[[fluoro(dimethyl)silyl]methyl]hexanedinitrile.
What is the SMILES notation for 3-[[fluoro(dimethyl)silyl]methyl]hexanedinitrile?
The canonical SMILES for 3-[[fluoro(dimethyl)silyl]methyl]hexanedinitrile is C[Si](C)(F)CC(CC#N)CCC#N.
What is the InChIKey of 3-[[fluoro(dimethyl)silyl]methyl]hexanedinitrile?
The InChIKey is QVECXSYJGYJWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2Si/c1-13(2,10)8-9(5-7-12)4-3-6-11/h9H,3-5,8H2,1-2H3.
What are the key properties of 3-[[fluoro(dimethyl)silyl]methyl]hexanedinitrile?
3-[[fluoro(dimethyl)silyl]methyl]hexanedinitrile has a molecular weight of 198.32 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[fluoro(dimethyl)silyl]methyl]hexanedinitrile is sourced from PubChem (CID 140812669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).