N-[dichloro(trifluoromethyl)silyl]oxy-N-methylmethanamine

C3H6Cl2F3NOSi — CID 102279453

IUPACN-[dichloro(trifluoromethyl)silyl]oxy-N-methylmethanamine
SMILESCN(C)O[Si](Cl)(Cl)C(F)(F)F
InChIInChI=1S/C3H6Cl2F3NOSi/c1-9(2)10-11(4,5)3(6,7)8/h1-2H3
InChIKeyNAFKZJYYGASGCK-UHFFFAOYSA-N
MW228.07 g/mol
LogP2.00
Rot. Bonds2

About N-[dichloro(trifluoromethyl)silyl]oxy-N-methylmethanamine

N-[dichloro(trifluoromethyl)silyl]oxy-N-methylmethanamine (PubChem CID 102279453) has the molecular formula C3H6Cl2F3NOSi and a molecular weight of 228.07 g/mol. Its IUPAC name is N-[dichloro(trifluoromethyl)silyl]oxy-N-methylmethanamine.

Molecular Properties

Compound NameN-[dichloro(trifluoromethyl)silyl]oxy-N-methylmethanamine
PubChem CID102279453
Molecular FormulaC3H6Cl2F3NOSi
Molecular Weight228.07 g/mol
Exact Mass226.95
IUPAC NameN-[dichloro(trifluoromethyl)silyl]oxy-N-methylmethanamine
SMILESCN(C)O[Si](Cl)(Cl)C(F)(F)F
InChIInChI=1S/C3H6Cl2F3NOSi/c1-9(2)10-11(4,5)3(6,7)8/h1-2H3
InChIKeyNAFKZJYYGASGCK-UHFFFAOYSA-N
XLogP2.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.07
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[dichloro(trifluoromethyl)silyl]oxy-N-methylmethanamine?
The IUPAC name of N-[dichloro(trifluoromethyl)silyl]oxy-N-methylmethanamine (CID 102279453) is N-[dichloro(trifluoromethyl)silyl]oxy-N-methylmethanamine.
What is the SMILES notation for N-[dichloro(trifluoromethyl)silyl]oxy-N-methylmethanamine?
The canonical SMILES for N-[dichloro(trifluoromethyl)silyl]oxy-N-methylmethanamine is CN(C)O[Si](Cl)(Cl)C(F)(F)F.
What is the InChIKey of N-[dichloro(trifluoromethyl)silyl]oxy-N-methylmethanamine?
The InChIKey is NAFKZJYYGASGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6Cl2F3NOSi/c1-9(2)10-11(4,5)3(6,7)8/h1-2H3.
What are the key properties of N-[dichloro(trifluoromethyl)silyl]oxy-N-methylmethanamine?
N-[dichloro(trifluoromethyl)silyl]oxy-N-methylmethanamine has a molecular weight of 228.07 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dichloro(trifluoromethyl)silyl]oxy-N-methylmethanamine is sourced from PubChem (CID 102279453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).