1-[3-[difluoro(hydroxy)silyl]pentyl]imidazolidin-2-one

C8H16F2N2O2Si — CID 166544762

IUPAC1-[3-[difluoro(hydroxy)silyl]pentyl]imidazolidin-2-one
SMILESCCC(CCN1CCNC1=O)[Si](O)(F)F
InChIInChI=1S/C8H16F2N2O2Si/c1-2-7(15(9,10)14)3-5-12-6-4-11-8(12)13/h7,14H,2-6H2,1H3,(H,11,13)
InChIKeyBQBDNJMSNSCKMX-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.05
Rot. Bonds5

About 1-[3-[difluoro(hydroxy)silyl]pentyl]imidazolidin-2-one

1-[3-[difluoro(hydroxy)silyl]pentyl]imidazolidin-2-one (PubChem CID 166544762) has the molecular formula C8H16F2N2O2Si and a molecular weight of 238.31 g/mol. Its IUPAC name is 1-[3-[difluoro(hydroxy)silyl]pentyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-[difluoro(hydroxy)silyl]pentyl]imidazolidin-2-one
PubChem CID166544762
Molecular FormulaC8H16F2N2O2Si
Molecular Weight238.31 g/mol
Exact Mass238.09
IUPAC Name1-[3-[difluoro(hydroxy)silyl]pentyl]imidazolidin-2-one
SMILESCCC(CCN1CCNC1=O)[Si](O)(F)F
InChIInChI=1S/C8H16F2N2O2Si/c1-2-7(15(9,10)14)3-5-12-6-4-11-8(12)13/h7,14H,2-6H2,1H3,(H,11,13)
InChIKeyBQBDNJMSNSCKMX-UHFFFAOYSA-N
XLogP1.05
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[3-[difluoro(hydroxy)silyl]pentyl]imidazolidin-2-one?
The IUPAC name of 1-[3-[difluoro(hydroxy)silyl]pentyl]imidazolidin-2-one (CID 166544762) is 1-[3-[difluoro(hydroxy)silyl]pentyl]imidazolidin-2-one.
What is the SMILES notation for 1-[3-[difluoro(hydroxy)silyl]pentyl]imidazolidin-2-one?
The canonical SMILES for 1-[3-[difluoro(hydroxy)silyl]pentyl]imidazolidin-2-one is CCC(CCN1CCNC1=O)[Si](O)(F)F.
What is the InChIKey of 1-[3-[difluoro(hydroxy)silyl]pentyl]imidazolidin-2-one?
The InChIKey is BQBDNJMSNSCKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O2Si/c1-2-7(15(9,10)14)3-5-12-6-4-11-8(12)13/h7,14H,2-6H2,1H3,(H,11,13).
What are the key properties of 1-[3-[difluoro(hydroxy)silyl]pentyl]imidazolidin-2-one?
1-[3-[difluoro(hydroxy)silyl]pentyl]imidazolidin-2-one has a molecular weight of 238.31 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[difluoro(hydroxy)silyl]pentyl]imidazolidin-2-one is sourced from PubChem (CID 166544762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).