1-[(2,4-difluorophenyl)methyl]-2,2,5,5-tetramethyl-1,2,5-azadisilolidine

C13H21F2NSi2 — CID 19980941

IUPAC1-[(2,4-difluorophenyl)methyl]-2,2,5,5-tetramethyl-1,2,5-azadisilolidine
SMILESC[Si]1(C)CC[Si](C)(C)N1Cc1ccc(F)cc1F
InChIInChI=1S/C13H21F2NSi2/c1-17(2)7-8-18(3,4)16(17)10-11-5-6-12(14)9-13(11)15/h5-6,9H,7-8,10H2,1-4H3
InChIKeyMTJYDMLGNKLNJR-UHFFFAOYSA-N
MW285.49 g/mol
LogP4.19
Rot. Bonds2

About 1-[(2,4-difluorophenyl)methyl]-2,2,5,5-tetramethyl-1,2,5-azadisilolidine

1-[(2,4-difluorophenyl)methyl]-2,2,5,5-tetramethyl-1,2,5-azadisilolidine (PubChem CID 19980941) has the molecular formula C13H21F2NSi2 and a molecular weight of 285.49 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-2,2,5,5-tetramethyl-1,2,5-azadisilolidine.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-2,2,5,5-tetramethyl-1,2,5-azadisilolidine
PubChem CID19980941
Molecular FormulaC13H21F2NSi2
Molecular Weight285.49 g/mol
Exact Mass285.12
IUPAC Name1-[(2,4-difluorophenyl)methyl]-2,2,5,5-tetramethyl-1,2,5-azadisilolidine
SMILESC[Si]1(C)CC[Si](C)(C)N1Cc1ccc(F)cc1F
InChIInChI=1S/C13H21F2NSi2/c1-17(2)7-8-18(3,4)16(17)10-11-5-6-12(14)9-13(11)15/h5-6,9H,7-8,10H2,1-4H3
InChIKeyMTJYDMLGNKLNJR-UHFFFAOYSA-N
XLogP4.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.49
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-2,2,5,5-tetramethyl-1,2,5-azadisilolidine?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-2,2,5,5-tetramethyl-1,2,5-azadisilolidine (CID 19980941) is 1-[(2,4-difluorophenyl)methyl]-2,2,5,5-tetramethyl-1,2,5-azadisilolidine.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-2,2,5,5-tetramethyl-1,2,5-azadisilolidine?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-2,2,5,5-tetramethyl-1,2,5-azadisilolidine is C[Si]1(C)CC[Si](C)(C)N1Cc1ccc(F)cc1F.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-2,2,5,5-tetramethyl-1,2,5-azadisilolidine?
The InChIKey is MTJYDMLGNKLNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2NSi2/c1-17(2)7-8-18(3,4)16(17)10-11-5-6-12(14)9-13(11)15/h5-6,9H,7-8,10H2,1-4H3.
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-2,2,5,5-tetramethyl-1,2,5-azadisilolidine?
1-[(2,4-difluorophenyl)methyl]-2,2,5,5-tetramethyl-1,2,5-azadisilolidine has a molecular weight of 285.49 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-2,2,5,5-tetramethyl-1,2,5-azadisilolidine is sourced from PubChem (CID 19980941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).