N-methyl-1-[4-(trifluoromethyl)morpholin-2-yl]methanamine

C7H13F3N2O — CID 155354220

IUPACN-methyl-1-[4-(trifluoromethyl)morpholin-2-yl]methanamine
SMILESCNCC1CN(C(F)(F)F)CCO1
InChIInChI=1S/C7H13F3N2O/c1-11-4-6-5-12(2-3-13-6)7(8,9)10/h6,11H,2-5H2,1H3
InChIKeyPGFJAXKAOWHRAV-UHFFFAOYSA-N
MW198.19 g/mol
LogP0.43
Rot. Bonds2

About N-methyl-1-[4-(trifluoromethyl)morpholin-2-yl]methanamine

N-methyl-1-[4-(trifluoromethyl)morpholin-2-yl]methanamine (PubChem CID 155354220) has the molecular formula C7H13F3N2O and a molecular weight of 198.19 g/mol. Its IUPAC name is N-methyl-1-[4-(trifluoromethyl)morpholin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(trifluoromethyl)morpholin-2-yl]methanamine
PubChem CID155354220
Molecular FormulaC7H13F3N2O
Molecular Weight198.19 g/mol
Exact Mass198.10
IUPAC NameN-methyl-1-[4-(trifluoromethyl)morpholin-2-yl]methanamine
SMILESCNCC1CN(C(F)(F)F)CCO1
InChIInChI=1S/C7H13F3N2O/c1-11-4-6-5-12(2-3-13-6)7(8,9)10/h6,11H,2-5H2,1H3
InChIKeyPGFJAXKAOWHRAV-UHFFFAOYSA-N
XLogP0.43
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(trifluoromethyl)morpholin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[4-(trifluoromethyl)morpholin-2-yl]methanamine (CID 155354220) is N-methyl-1-[4-(trifluoromethyl)morpholin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(trifluoromethyl)morpholin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-(trifluoromethyl)morpholin-2-yl]methanamine is CNCC1CN(C(F)(F)F)CCO1.
What is the InChIKey of N-methyl-1-[4-(trifluoromethyl)morpholin-2-yl]methanamine?
The InChIKey is PGFJAXKAOWHRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O/c1-11-4-6-5-12(2-3-13-6)7(8,9)10/h6,11H,2-5H2,1H3.
What are the key properties of N-methyl-1-[4-(trifluoromethyl)morpholin-2-yl]methanamine?
N-methyl-1-[4-(trifluoromethyl)morpholin-2-yl]methanamine has a molecular weight of 198.19 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(trifluoromethyl)morpholin-2-yl]methanamine is sourced from PubChem (CID 155354220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).