(2S)-2-[[4-(trifluoromethyl)imidazol-1-yl]methyl]morpholine

C9H12F3N3O — CID 168952652

IUPAC(2S)-2-[[4-(trifluoromethyl)imidazol-1-yl]methyl]morpholine
SMILESFC(F)(F)c1cn(C[C@@H]2CNCCO2)cn1
InChIInChI=1S/C9H12F3N3O/c10-9(11,12)8-5-15(6-14-8)4-7-3-13-1-2-16-7/h5-7,13H,1-4H2/t7-/m0/s1
InChIKeyKBROYCXIVGINDX-ZETCQYMHSA-N
MW235.21 g/mol
LogP0.89
Rot. Bonds2

About (2S)-2-[[4-(trifluoromethyl)imidazol-1-yl]methyl]morpholine

(2S)-2-[[4-(trifluoromethyl)imidazol-1-yl]methyl]morpholine (PubChem CID 168952652) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is (2S)-2-[[4-(trifluoromethyl)imidazol-1-yl]methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[[4-(trifluoromethyl)imidazol-1-yl]methyl]morpholine
PubChem CID168952652
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name(2S)-2-[[4-(trifluoromethyl)imidazol-1-yl]methyl]morpholine
SMILESFC(F)(F)c1cn(C[C@@H]2CNCCO2)cn1
InChIInChI=1S/C9H12F3N3O/c10-9(11,12)8-5-15(6-14-8)4-7-3-13-1-2-16-7/h5-7,13H,1-4H2/t7-/m0/s1
InChIKeyKBROYCXIVGINDX-ZETCQYMHSA-N
XLogP0.89
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-(trifluoromethyl)imidazol-1-yl]methyl]morpholine?
The IUPAC name of (2S)-2-[[4-(trifluoromethyl)imidazol-1-yl]methyl]morpholine (CID 168952652) is (2S)-2-[[4-(trifluoromethyl)imidazol-1-yl]methyl]morpholine.
What is the SMILES notation for (2S)-2-[[4-(trifluoromethyl)imidazol-1-yl]methyl]morpholine?
The canonical SMILES for (2S)-2-[[4-(trifluoromethyl)imidazol-1-yl]methyl]morpholine is FC(F)(F)c1cn(C[C@@H]2CNCCO2)cn1.
What is the InChIKey of (2S)-2-[[4-(trifluoromethyl)imidazol-1-yl]methyl]morpholine?
The InChIKey is KBROYCXIVGINDX-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H12F3N3O/c10-9(11,12)8-5-15(6-14-8)4-7-3-13-1-2-16-7/h5-7,13H,1-4H2/t7-/m0/s1.
What are the key properties of (2S)-2-[[4-(trifluoromethyl)imidazol-1-yl]methyl]morpholine?
(2S)-2-[[4-(trifluoromethyl)imidazol-1-yl]methyl]morpholine has a molecular weight of 235.21 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[4-(trifluoromethyl)imidazol-1-yl]methyl]morpholine is sourced from PubChem (CID 168952652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).