1-[2-[difluoro(methyl)silyl]ethyl]pyrrolidin-2-one

C7H13F2NOSi — CID 174136159

IUPAC1-[2-[difluoro(methyl)silyl]ethyl]pyrrolidin-2-one
SMILESC[Si](F)(F)CCN1CCCC1=O
InChIInChI=1S/C7H13F2NOSi/c1-12(8,9)6-5-10-4-2-3-7(10)11/h2-6H2,1H3
InChIKeyFEVWJMUCTUIANL-UHFFFAOYSA-N
MW193.27 g/mol
LogP1.62
Rot. Bonds3

About 1-[2-[difluoro(methyl)silyl]ethyl]pyrrolidin-2-one

1-[2-[difluoro(methyl)silyl]ethyl]pyrrolidin-2-one (PubChem CID 174136159) has the molecular formula C7H13F2NOSi and a molecular weight of 193.27 g/mol. Its IUPAC name is 1-[2-[difluoro(methyl)silyl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[difluoro(methyl)silyl]ethyl]pyrrolidin-2-one
PubChem CID174136159
Molecular FormulaC7H13F2NOSi
Molecular Weight193.27 g/mol
Exact Mass193.07
IUPAC Name1-[2-[difluoro(methyl)silyl]ethyl]pyrrolidin-2-one
SMILESC[Si](F)(F)CCN1CCCC1=O
InChIInChI=1S/C7H13F2NOSi/c1-12(8,9)6-5-10-4-2-3-7(10)11/h2-6H2,1H3
InChIKeyFEVWJMUCTUIANL-UHFFFAOYSA-N
XLogP1.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 51.62
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 1-[2-[difluoro(methyl)silyl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[difluoro(methyl)silyl]ethyl]pyrrolidin-2-one (CID 174136159) is 1-[2-[difluoro(methyl)silyl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[difluoro(methyl)silyl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[difluoro(methyl)silyl]ethyl]pyrrolidin-2-one is C[Si](F)(F)CCN1CCCC1=O.
What is the InChIKey of 1-[2-[difluoro(methyl)silyl]ethyl]pyrrolidin-2-one?
The InChIKey is FEVWJMUCTUIANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NOSi/c1-12(8,9)6-5-10-4-2-3-7(10)11/h2-6H2,1H3.
What are the key properties of 1-[2-[difluoro(methyl)silyl]ethyl]pyrrolidin-2-one?
1-[2-[difluoro(methyl)silyl]ethyl]pyrrolidin-2-one has a molecular weight of 193.27 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[difluoro(methyl)silyl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 174136159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).