3-[fluoro(dimethyl)silyl]butanenitrile

C6H12FNSi — CID 123983944

IUPAC3-[fluoro(dimethyl)silyl]butanenitrile
SMILESCC(CC#N)[Si](C)(C)F
InChIInChI=1S/C6H12FNSi/c1-6(4-5-8)9(2,3)7/h6H,4H2,1-3H3
InChIKeyQTRBPWPVLFLELJ-UHFFFAOYSA-N
MW145.25 g/mol
LogP2.46
Rot. Bonds2

About 3-[fluoro(dimethyl)silyl]butanenitrile

3-[fluoro(dimethyl)silyl]butanenitrile (PubChem CID 123983944) has the molecular formula C6H12FNSi and a molecular weight of 145.25 g/mol. Its IUPAC name is 3-[fluoro(dimethyl)silyl]butanenitrile.

Molecular Properties

Compound Name3-[fluoro(dimethyl)silyl]butanenitrile
PubChem CID123983944
Molecular FormulaC6H12FNSi
Molecular Weight145.25 g/mol
Exact Mass145.07
IUPAC Name3-[fluoro(dimethyl)silyl]butanenitrile
SMILESCC(CC#N)[Si](C)(C)F
InChIInChI=1S/C6H12FNSi/c1-6(4-5-8)9(2,3)7/h6H,4H2,1-3H3
InChIKeyQTRBPWPVLFLELJ-UHFFFAOYSA-N
XLogP2.46
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 52.46
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]butanenitrile?
The IUPAC name of 3-[fluoro(dimethyl)silyl]butanenitrile (CID 123983944) is 3-[fluoro(dimethyl)silyl]butanenitrile.
What is the SMILES notation for 3-[fluoro(dimethyl)silyl]butanenitrile?
The canonical SMILES for 3-[fluoro(dimethyl)silyl]butanenitrile is CC(CC#N)[Si](C)(C)F.
What is the InChIKey of 3-[fluoro(dimethyl)silyl]butanenitrile?
The InChIKey is QTRBPWPVLFLELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNSi/c1-6(4-5-8)9(2,3)7/h6H,4H2,1-3H3.
What are the key properties of 3-[fluoro(dimethyl)silyl]butanenitrile?
3-[fluoro(dimethyl)silyl]butanenitrile has a molecular weight of 145.25 g/mol, XLogP of 2.46, 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]butanenitrile is sourced from PubChem (CID 123983944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).