N-methyl-N-(trifluoromethylselanyl)methanamine

C3H6F3NSe — CID 13172553

IUPACN-methyl-N-(trifluoromethylselanyl)methanamine
SMILESCN(C)[Se]C(F)(F)F
InChIInChI=1S/C3H6F3NSe/c1-7(2)8-3(4,5)6/h1-2H3
InChIKeyKSHQAWCZZTVYFB-UHFFFAOYSA-N
MW192.04 g/mol
LogP0.69
Rot. Bonds1

About N-methyl-N-(trifluoromethylselanyl)methanamine

N-methyl-N-(trifluoromethylselanyl)methanamine (PubChem CID 13172553) has the molecular formula C3H6F3NSe and a molecular weight of 192.04 g/mol. Its IUPAC name is N-methyl-N-(trifluoromethylselanyl)methanamine.

Molecular Properties

Compound NameN-methyl-N-(trifluoromethylselanyl)methanamine
PubChem CID13172553
Molecular FormulaC3H6F3NSe
Molecular Weight192.04 g/mol
Exact Mass192.96
IUPAC NameN-methyl-N-(trifluoromethylselanyl)methanamine
SMILESCN(C)[Se]C(F)(F)F
InChIInChI=1S/C3H6F3NSe/c1-7(2)8-3(4,5)6/h1-2H3
InChIKeyKSHQAWCZZTVYFB-UHFFFAOYSA-N
XLogP0.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.04
LogP ≤ 50.69
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 N-methyl-N-(trifluoromethylselanyl)methanamine?
The IUPAC name of N-methyl-N-(trifluoromethylselanyl)methanamine (CID 13172553) is N-methyl-N-(trifluoromethylselanyl)methanamine.
What is the SMILES notation for N-methyl-N-(trifluoromethylselanyl)methanamine?
The canonical SMILES for N-methyl-N-(trifluoromethylselanyl)methanamine is CN(C)[Se]C(F)(F)F.
What is the InChIKey of N-methyl-N-(trifluoromethylselanyl)methanamine?
The InChIKey is KSHQAWCZZTVYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F3NSe/c1-7(2)8-3(4,5)6/h1-2H3.
What are the key properties of N-methyl-N-(trifluoromethylselanyl)methanamine?
N-methyl-N-(trifluoromethylselanyl)methanamine has a molecular weight of 192.04 g/mol, XLogP of 0.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(trifluoromethylselanyl)methanamine is sourced from PubChem (CID 13172553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).