3-[diethyl(fluoro)silyl]propanenitrile

C7H14FNSi — CID 140812692

IUPAC3-[diethyl(fluoro)silyl]propanenitrile
SMILESCC[Si](F)(CC)CCC#N
InChIInChI=1S/C7H14FNSi/c1-3-10(8,4-2)7-5-6-9/h3-5,7H2,1-2H3
InChIKeyCEGONWRNCLWCCS-UHFFFAOYSA-N
MW159.28 g/mol
LogP2.85
Rot. Bonds4

About 3-[diethyl(fluoro)silyl]propanenitrile

3-[diethyl(fluoro)silyl]propanenitrile (PubChem CID 140812692) has the molecular formula C7H14FNSi and a molecular weight of 159.28 g/mol. Its IUPAC name is 3-[diethyl(fluoro)silyl]propanenitrile.

Molecular Properties

Compound Name3-[diethyl(fluoro)silyl]propanenitrile
PubChem CID140812692
Molecular FormulaC7H14FNSi
Molecular Weight159.28 g/mol
Exact Mass159.09
IUPAC Name3-[diethyl(fluoro)silyl]propanenitrile
SMILESCC[Si](F)(CC)CCC#N
InChIInChI=1S/C7H14FNSi/c1-3-10(8,4-2)7-5-6-9/h3-5,7H2,1-2H3
InChIKeyCEGONWRNCLWCCS-UHFFFAOYSA-N
XLogP2.85
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.28
LogP ≤ 52.85
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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Related Compounds

3-[difluoro(methyl)silyl]propanenitrile
CID 22079074
3-[fluoro(dimethyl)silyl]propanenitrile
CID 123866659
3-[bis(ethenyl)-ethylsilyl]propanenitrile
CID 175566414
4-[butyl(dichloro)silyl]butanenitrile
CID 11806313
3-triethoxysilylpropanenitrile;3-trimethoxysilylpropanenitrile
CID 87442865
butane;3-fluoropropanenitrile
CID 176659815
butanenitrile;ethane
CID 91457061
alumane;butanenitrile
CID 174728323
3-(2-trimethylsilylethoxy)propanenitrile
CID 175133125
4-(chloro-ethoxy-ethylsilyl)butanenitrile
CID 140625068
4-trichlorosilylbutanenitrile;4-trifluorosilylbutanenitrile;hydrate
CID 161228348
4-[dichloro(methyl)silyl]butanenitrile
CID 14479

Frequently Asked Questions

What is the IUPAC name of 3-[diethyl(fluoro)silyl]propanenitrile?
The IUPAC name of 3-[diethyl(fluoro)silyl]propanenitrile (CID 140812692) is 3-[diethyl(fluoro)silyl]propanenitrile.
What is the SMILES notation for 3-[diethyl(fluoro)silyl]propanenitrile?
The canonical SMILES for 3-[diethyl(fluoro)silyl]propanenitrile is CC[Si](F)(CC)CCC#N.
What is the InChIKey of 3-[diethyl(fluoro)silyl]propanenitrile?
The InChIKey is CEGONWRNCLWCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNSi/c1-3-10(8,4-2)7-5-6-9/h3-5,7H2,1-2H3.
What are the key properties of 3-[diethyl(fluoro)silyl]propanenitrile?
3-[diethyl(fluoro)silyl]propanenitrile has a molecular weight of 159.28 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[diethyl(fluoro)silyl]propanenitrile is sourced from PubChem (CID 140812692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).