(2S)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(trifluoromethyl)morpholine

C12H18F3N3O2 — CID 95553389

IUPAC(2S)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(trifluoromethyl)morpholine
SMILESCOCCn1cncc1CN1CCO[C@H](C(F)(F)F)C1
InChIInChI=1S/C12H18F3N3O2/c1-19-4-3-18-9-16-6-10(18)7-17-2-5-20-11(8-17)12(13,14)15/h6,9,11H,2-5,7-8H2,1H3/t11-/m0/s1
InChIKeyZXNHAKLWBNYJCT-NSHDSACASA-N
MW293.29 g/mol
LogP1.29
Rot. Bonds5

About (2S)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(trifluoromethyl)morpholine

(2S)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(trifluoromethyl)morpholine (PubChem CID 95553389) has the molecular formula C12H18F3N3O2 and a molecular weight of 293.29 g/mol. Its IUPAC name is (2S)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name(2S)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(trifluoromethyl)morpholine
PubChem CID95553389
Molecular FormulaC12H18F3N3O2
Molecular Weight293.29 g/mol
Exact Mass293.14
IUPAC Name(2S)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(trifluoromethyl)morpholine
SMILESCOCCn1cncc1CN1CCO[C@H](C(F)(F)F)C1
InChIInChI=1S/C12H18F3N3O2/c1-19-4-3-18-9-16-6-10(18)7-17-2-5-20-11(8-17)12(13,14)15/h6,9,11H,2-5,7-8H2,1H3/t11-/m0/s1
InChIKeyZXNHAKLWBNYJCT-NSHDSACASA-N
XLogP1.29
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(trifluoromethyl)morpholine?
The IUPAC name of (2S)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(trifluoromethyl)morpholine (CID 95553389) is (2S)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(trifluoromethyl)morpholine.
What is the SMILES notation for (2S)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(trifluoromethyl)morpholine?
The canonical SMILES for (2S)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(trifluoromethyl)morpholine is COCCn1cncc1CN1CCO[C@H](C(F)(F)F)C1.
What is the InChIKey of (2S)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(trifluoromethyl)morpholine?
The InChIKey is ZXNHAKLWBNYJCT-NSHDSACASA-N. The full InChI is InChI=1S/C12H18F3N3O2/c1-19-4-3-18-9-16-6-10(18)7-17-2-5-20-11(8-17)12(13,14)15/h6,9,11H,2-5,7-8H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(trifluoromethyl)morpholine?
(2S)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(trifluoromethyl)morpholine has a molecular weight of 293.29 g/mol, XLogP of 1.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(trifluoromethyl)morpholine is sourced from PubChem (CID 95553389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).