(3S)-3-[6-(trifluoromethyl)-3-pyridinyl]morpholine

C10H11F3N2O — CID 118888705

IUPAC(3S)-3-[6-(trifluoromethyl)-3-pyridinyl]morpholine
SMILESFC(F)(F)c1ccc([C@H]2COCCN2)cn1
InChIInChI=1S/C10H11F3N2O/c11-10(12,13)9-2-1-7(5-15-9)8-6-16-4-3-14-8/h1-2,5,8,14H,3-4,6H2/t8-/m1/s1
InChIKeyCGDBGDLDSVYRRB-MRVPVSSYSA-N
MW232.20 g/mol
LogP1.76
Rot. Bonds1

About (3S)-3-[6-(trifluoromethyl)-3-pyridinyl]morpholine

(3S)-3-[6-(trifluoromethyl)-3-pyridinyl]morpholine (PubChem CID 118888705) has the molecular formula C10H11F3N2O and a molecular weight of 232.20 g/mol. Its IUPAC name is (3S)-3-[6-(trifluoromethyl)-3-pyridinyl]morpholine.

Molecular Properties

Compound Name(3S)-3-[6-(trifluoromethyl)-3-pyridinyl]morpholine
PubChem CID118888705
Molecular FormulaC10H11F3N2O
Molecular Weight232.20 g/mol
Exact Mass232.08
IUPAC Name(3S)-3-[6-(trifluoromethyl)-3-pyridinyl]morpholine
SMILESFC(F)(F)c1ccc([C@H]2COCCN2)cn1
InChIInChI=1S/C10H11F3N2O/c11-10(12,13)9-2-1-7(5-15-9)8-6-16-4-3-14-8/h1-2,5,8,14H,3-4,6H2/t8-/m1/s1
InChIKeyCGDBGDLDSVYRRB-MRVPVSSYSA-N
XLogP1.76
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[6-(trifluoromethyl)-3-pyridinyl]morpholine?
The IUPAC name of (3S)-3-[6-(trifluoromethyl)-3-pyridinyl]morpholine (CID 118888705) is (3S)-3-[6-(trifluoromethyl)-3-pyridinyl]morpholine.
What is the SMILES notation for (3S)-3-[6-(trifluoromethyl)-3-pyridinyl]morpholine?
The canonical SMILES for (3S)-3-[6-(trifluoromethyl)-3-pyridinyl]morpholine is FC(F)(F)c1ccc([C@H]2COCCN2)cn1.
What is the InChIKey of (3S)-3-[6-(trifluoromethyl)-3-pyridinyl]morpholine?
The InChIKey is CGDBGDLDSVYRRB-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H11F3N2O/c11-10(12,13)9-2-1-7(5-15-9)8-6-16-4-3-14-8/h1-2,5,8,14H,3-4,6H2/t8-/m1/s1.
What are the key properties of (3S)-3-[6-(trifluoromethyl)-3-pyridinyl]morpholine?
(3S)-3-[6-(trifluoromethyl)-3-pyridinyl]morpholine has a molecular weight of 232.20 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[6-(trifluoromethyl)-3-pyridinyl]morpholine is sourced from PubChem (CID 118888705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).