3-[fluoro(dimethyl)silyl]propanenitrile

C5H10FNSi — CID 123866659

IUPAC3-[fluoro(dimethyl)silyl]propanenitrile
SMILESC[Si](C)(F)CCC#N
InChIInChI=1S/C5H10FNSi/c1-8(2,6)5-3-4-7/h3,5H2,1-2H3
InChIKeyCOAKGKZHJHWODQ-UHFFFAOYSA-N
MW131.23 g/mol
LogP2.07
Rot. Bonds2

About 3-[fluoro(dimethyl)silyl]propanenitrile

3-[fluoro(dimethyl)silyl]propanenitrile (PubChem CID 123866659) has the molecular formula C5H10FNSi and a molecular weight of 131.23 g/mol. Its IUPAC name is 3-[fluoro(dimethyl)silyl]propanenitrile.

Molecular Properties

Compound Name3-[fluoro(dimethyl)silyl]propanenitrile
PubChem CID123866659
Molecular FormulaC5H10FNSi
Molecular Weight131.23 g/mol
Exact Mass131.06
IUPAC Name3-[fluoro(dimethyl)silyl]propanenitrile
SMILESC[Si](C)(F)CCC#N
InChIInChI=1S/C5H10FNSi/c1-8(2,6)5-3-4-7/h3,5H2,1-2H3
InChIKeyCOAKGKZHJHWODQ-UHFFFAOYSA-N
XLogP2.07
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.23
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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]propanenitrile?
The IUPAC name of 3-[fluoro(dimethyl)silyl]propanenitrile (CID 123866659) is 3-[fluoro(dimethyl)silyl]propanenitrile.
What is the SMILES notation for 3-[fluoro(dimethyl)silyl]propanenitrile?
The canonical SMILES for 3-[fluoro(dimethyl)silyl]propanenitrile is C[Si](C)(F)CCC#N.
What is the InChIKey of 3-[fluoro(dimethyl)silyl]propanenitrile?
The InChIKey is COAKGKZHJHWODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FNSi/c1-8(2,6)5-3-4-7/h3,5H2,1-2H3.
What are the key properties of 3-[fluoro(dimethyl)silyl]propanenitrile?
3-[fluoro(dimethyl)silyl]propanenitrile has a molecular weight of 131.23 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[fluoro(dimethyl)silyl]propanenitrile is sourced from PubChem (CID 123866659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).