5-[difluoro(methyl)silyl]-4-methylpentanenitrile

C7H13F2NSi — CID 140812571

IUPAC5-[difluoro(methyl)silyl]-4-methylpentanenitrile
SMILESCC(CCC#N)C[Si](C)(F)F
InChIInChI=1S/C7H13F2NSi/c1-7(4-3-5-10)6-11(2,8)9/h7H,3-4,6H2,1-2H3
InChIKeyPMPHBMCXUMWSAA-UHFFFAOYSA-N
MW177.27 g/mol
LogP2.94
Rot. Bonds4

About 5-[difluoro(methyl)silyl]-4-methylpentanenitrile

5-[difluoro(methyl)silyl]-4-methylpentanenitrile (PubChem CID 140812571) has the molecular formula C7H13F2NSi and a molecular weight of 177.27 g/mol. Its IUPAC name is 5-[difluoro(methyl)silyl]-4-methylpentanenitrile.

Molecular Properties

Compound Name5-[difluoro(methyl)silyl]-4-methylpentanenitrile
PubChem CID140812571
Molecular FormulaC7H13F2NSi
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name5-[difluoro(methyl)silyl]-4-methylpentanenitrile
SMILESCC(CCC#N)C[Si](C)(F)F
InChIInChI=1S/C7H13F2NSi/c1-7(4-3-5-10)6-11(2,8)9/h7H,3-4,6H2,1-2H3
InChIKeyPMPHBMCXUMWSAA-UHFFFAOYSA-N
XLogP2.94
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 52.94
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

4-methylheptanedinitrile
CID 12673956
4,6-dimethylheptanenitrile
CID 12673955
3-[[fluoro(dimethyl)silyl]methyl]hexanedinitrile
CID 140812669
3-[difluoro(methyl)silyl]propanenitrile
CID 22079074
4,6-dimethyloctanenitrile
CID 142940400
3-[fluoro(dimethyl)silyl]propanenitrile
CID 123866659
4-[chloro(dimethyl)silyl]butanenitrile;4-[difluoro(methyl)silyl]butanenitrile;methane;oxocalcium
CID 165097101
6-cyano-4-methylhexanamide
CID 87903617
4-hydroxy-5,5-dimethylhexanenitrile
CID 10654308
5-hydroxy-4-methylhexanenitrile
CID 130122658
3-methylheptanedinitrile
CID 91621031
4-methylsulfanylpentanenitrile
CID 126971417

Frequently Asked Questions

What is the IUPAC name of 5-[difluoro(methyl)silyl]-4-methylpentanenitrile?
The IUPAC name of 5-[difluoro(methyl)silyl]-4-methylpentanenitrile (CID 140812571) is 5-[difluoro(methyl)silyl]-4-methylpentanenitrile.
What is the SMILES notation for 5-[difluoro(methyl)silyl]-4-methylpentanenitrile?
The canonical SMILES for 5-[difluoro(methyl)silyl]-4-methylpentanenitrile is CC(CCC#N)C[Si](C)(F)F.
What is the InChIKey of 5-[difluoro(methyl)silyl]-4-methylpentanenitrile?
The InChIKey is PMPHBMCXUMWSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NSi/c1-7(4-3-5-10)6-11(2,8)9/h7H,3-4,6H2,1-2H3.
What are the key properties of 5-[difluoro(methyl)silyl]-4-methylpentanenitrile?
5-[difluoro(methyl)silyl]-4-methylpentanenitrile has a molecular weight of 177.27 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[difluoro(methyl)silyl]-4-methylpentanenitrile is sourced from PubChem (CID 140812571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).