[2-(trifluoromethyl)morpholin-4-yl]methanamine

C6H11F3N2O — CID 178155810

IUPAC[2-(trifluoromethyl)morpholin-4-yl]methanamine
SMILESNCN1CCOC(C(F)(F)F)C1
InChIInChI=1S/C6H11F3N2O/c7-6(8,9)5-3-11(4-10)1-2-12-5/h5H,1-4,10H2
InChIKeyPDLWACVFDZZQCY-UHFFFAOYSA-N
MW184.16 g/mol
LogP0.17
Rot. Bonds1

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

[2-(trifluoromethyl)morpholin-4-yl]methanamine (PubChem CID 178155810) has the molecular formula C6H11F3N2O and a molecular weight of 184.16 g/mol. Its IUPAC name is [2-(trifluoromethyl)morpholin-4-yl]methanamine.

Molecular Properties

Compound Name[2-(trifluoromethyl)morpholin-4-yl]methanamine
PubChem CID178155810
Molecular FormulaC6H11F3N2O
Molecular Weight184.16 g/mol
Exact Mass184.08
IUPAC Name[2-(trifluoromethyl)morpholin-4-yl]methanamine
SMILESNCN1CCOC(C(F)(F)F)C1
InChIInChI=1S/C6H11F3N2O/c7-6(8,9)5-3-11(4-10)1-2-12-5/h5H,1-4,10H2
InChIKeyPDLWACVFDZZQCY-UHFFFAOYSA-N
XLogP0.17
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(trifluoromethyl)morpholin-4-yl]methanamine?
The IUPAC name of [2-(trifluoromethyl)morpholin-4-yl]methanamine (CID 178155810) is [2-(trifluoromethyl)morpholin-4-yl]methanamine.
What is the SMILES notation for [2-(trifluoromethyl)morpholin-4-yl]methanamine?
The canonical SMILES for [2-(trifluoromethyl)morpholin-4-yl]methanamine is NCN1CCOC(C(F)(F)F)C1.
What is the InChIKey of [2-(trifluoromethyl)morpholin-4-yl]methanamine?
The InChIKey is PDLWACVFDZZQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O/c7-6(8,9)5-3-11(4-10)1-2-12-5/h5H,1-4,10H2.
What are the key properties of [2-(trifluoromethyl)morpholin-4-yl]methanamine?
[2-(trifluoromethyl)morpholin-4-yl]methanamine has a molecular weight of 184.16 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(trifluoromethyl)morpholin-4-yl]methanamine is sourced from PubChem (CID 178155810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).