3-[difluoro(methyl)silyl]propanenitrile

C4H7F2NSi — CID 22079074

IUPAC3-[difluoro(methyl)silyl]propanenitrile
SMILESC[Si](F)(F)CCC#N
InChIInChI=1S/C4H7F2NSi/c1-8(5,6)4-2-3-7/h2,4H2,1H3
InChIKeyOPNHCCLKZDZNFN-UHFFFAOYSA-N
MW135.19 g/mol
LogP1.91
Rot. Bonds2

About 3-[difluoro(methyl)silyl]propanenitrile

3-[difluoro(methyl)silyl]propanenitrile (PubChem CID 22079074) has the molecular formula C4H7F2NSi and a molecular weight of 135.19 g/mol. Its IUPAC name is 3-[difluoro(methyl)silyl]propanenitrile.

Molecular Properties

Compound Name3-[difluoro(methyl)silyl]propanenitrile
PubChem CID22079074
Molecular FormulaC4H7F2NSi
Molecular Weight135.19 g/mol
Exact Mass135.03
IUPAC Name3-[difluoro(methyl)silyl]propanenitrile
SMILESC[Si](F)(F)CCC#N
InChIInChI=1S/C4H7F2NSi/c1-8(5,6)4-2-3-7/h2,4H2,1H3
InChIKeyOPNHCCLKZDZNFN-UHFFFAOYSA-N
XLogP1.91
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.19
LogP ≤ 51.91
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-[fluoro(dimethyl)silyl]propanenitrile
CID 123866659
3-[diethyl(fluoro)silyl]propanenitrile
CID 140812692
4-[chloro(dimethyl)silyl]butanenitrile;4-[difluoro(methyl)silyl]butanenitrile;methane;oxocalcium
CID 165097101
5-[difluoro(methyl)silyl]-4-methylpentanenitrile
CID 140812571
4-[dichloro(methyl)silyl]butanenitrile
CID 14479
5-[chloro(dimethyl)silyl]pentanenitrile
CID 87524808
3-[bis(ethenyl)-ethylsilyl]propanenitrile
CID 175566414
4-(3-cyanopropyl-methoxy-methylsilyl)butanenitrile
CID 170685707
3-(2-trimethylsilylethoxy)propanenitrile
CID 175133125
3-[[fluoro(dimethyl)silyl]methyl]hexanedinitrile
CID 140812669
4-trichlorosilylbutanenitrile;4-trifluorosilylbutanenitrile;hydrate
CID 161228348
3-triethoxysilylpropanenitrile;3-trimethoxysilylpropanenitrile
CID 87442865

Frequently Asked Questions

What is the IUPAC name of 3-[difluoro(methyl)silyl]propanenitrile?
The IUPAC name of 3-[difluoro(methyl)silyl]propanenitrile (CID 22079074) is 3-[difluoro(methyl)silyl]propanenitrile.
What is the SMILES notation for 3-[difluoro(methyl)silyl]propanenitrile?
The canonical SMILES for 3-[difluoro(methyl)silyl]propanenitrile is C[Si](F)(F)CCC#N.
What is the InChIKey of 3-[difluoro(methyl)silyl]propanenitrile?
The InChIKey is OPNHCCLKZDZNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F2NSi/c1-8(5,6)4-2-3-7/h2,4H2,1H3.
What are the key properties of 3-[difluoro(methyl)silyl]propanenitrile?
3-[difluoro(methyl)silyl]propanenitrile has a molecular weight of 135.19 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[difluoro(methyl)silyl]propanenitrile is sourced from PubChem (CID 22079074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).