1,1,1,3,3,3-hexafluoro-N-trimethylsilyloxypropan-2-imine

C6H9F6NOSi — CID 552550

IUPAC1,1,1,3,3,3-hexafluoro-N-trimethylsilyloxypropan-2-imine
SMILESC[Si](C)(C)ON=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H9F6NOSi/c1-15(2,3)14-13-4(5(7,8)9)6(10,11)12/h1-3H3
InChIKeyBDOULOCOJRDVOW-UHFFFAOYSA-N
MW253.22 g/mol
LogP3.32
Rot. Bonds2

About 1,1,1,3,3,3-hexafluoro-N-trimethylsilyloxypropan-2-imine

1,1,1,3,3,3-hexafluoro-N-trimethylsilyloxypropan-2-imine (PubChem CID 552550) has the molecular formula C6H9F6NOSi and a molecular weight of 253.22 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-N-trimethylsilyloxypropan-2-imine.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-N-trimethylsilyloxypropan-2-imine
PubChem CID552550
Molecular FormulaC6H9F6NOSi
Molecular Weight253.22 g/mol
Exact Mass253.04
IUPAC Name1,1,1,3,3,3-hexafluoro-N-trimethylsilyloxypropan-2-imine
SMILESC[Si](C)(C)ON=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H9F6NOSi/c1-15(2,3)14-13-4(5(7,8)9)6(10,11)12/h1-3H3
InChIKeyBDOULOCOJRDVOW-UHFFFAOYSA-N
XLogP3.32
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1,1,1,3,3,3-hexafluoro-N-trimethylsilyloxypropan-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-N-trimethylsilyloxypropan-2-imine?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-N-trimethylsilyloxypropan-2-imine (CID 552550) is 1,1,1,3,3,3-hexafluoro-N-trimethylsilyloxypropan-2-imine.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-N-trimethylsilyloxypropan-2-imine?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-N-trimethylsilyloxypropan-2-imine is C[Si](C)(C)ON=C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-N-trimethylsilyloxypropan-2-imine?
The InChIKey is BDOULOCOJRDVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F6NOSi/c1-15(2,3)14-13-4(5(7,8)9)6(10,11)12/h1-3H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-N-trimethylsilyloxypropan-2-imine?
1,1,1,3,3,3-hexafluoro-N-trimethylsilyloxypropan-2-imine has a molecular weight of 253.22 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-N-trimethylsilyloxypropan-2-imine is sourced from PubChem (CID 552550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).