N-[[(2S)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine

C9H17F3N2O — CID 166684020

IUPACN-[[(2S)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine
SMILESCC(C)NC[C@H]1CN(C(F)(F)F)CCO1
InChIInChI=1S/C9H17F3N2O/c1-7(2)13-5-8-6-14(3-4-15-8)9(10,11)12/h7-8,13H,3-6H2,1-2H3/t8-/m0/s1
InChIKeyQRMZIAMDDBJVEX-QMMMGPOBSA-N
MW226.24 g/mol
LogP1.21
Rot. Bonds3

About N-[[(2S)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine

N-[[(2S)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine (PubChem CID 166684020) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is N-[[(2S)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[(2S)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine
PubChem CID166684020
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC NameN-[[(2S)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine
SMILESCC(C)NC[C@H]1CN(C(F)(F)F)CCO1
InChIInChI=1S/C9H17F3N2O/c1-7(2)13-5-8-6-14(3-4-15-8)9(10,11)12/h7-8,13H,3-6H2,1-2H3/t8-/m0/s1
InChIKeyQRMZIAMDDBJVEX-QMMMGPOBSA-N
XLogP1.21
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.21
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-[[(2S)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[(2S)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine (CID 166684020) is N-[[(2S)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[(2S)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[(2S)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine is CC(C)NC[C@H]1CN(C(F)(F)F)CCO1.
What is the InChIKey of N-[[(2S)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine?
The InChIKey is QRMZIAMDDBJVEX-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-7(2)13-5-8-6-14(3-4-15-8)9(10,11)12/h7-8,13H,3-6H2,1-2H3/t8-/m0/s1.
What are the key properties of N-[[(2S)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine?
N-[[(2S)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine has a molecular weight of 226.24 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 166684020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).