(2S)-2-[(1S)-2,2,2-trifluoro-1-propan-2-yloxyethyl]morpholine

C9H16F3NO2 — CID 176863690

IUPAC(2S)-2-[(1S)-2,2,2-trifluoro-1-propan-2-yloxyethyl]morpholine
SMILESCC(C)O[C@@H]([C@@H]1CNCCO1)C(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-6(2)15-8(9(10,11)12)7-5-13-3-4-14-7/h6-8,13H,3-5H2,1-2H3/t7-,8-/m0/s1
InChIKeyKYFIUSJBMNIJMB-YUMQZZPRSA-N
MW227.23 g/mol
LogP1.33
Rot. Bonds3

About (2S)-2-[(1S)-2,2,2-trifluoro-1-propan-2-yloxyethyl]morpholine

(2S)-2-[(1S)-2,2,2-trifluoro-1-propan-2-yloxyethyl]morpholine (PubChem CID 176863690) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is (2S)-2-[(1S)-2,2,2-trifluoro-1-propan-2-yloxyethyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[(1S)-2,2,2-trifluoro-1-propan-2-yloxyethyl]morpholine
PubChem CID176863690
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name(2S)-2-[(1S)-2,2,2-trifluoro-1-propan-2-yloxyethyl]morpholine
SMILESCC(C)O[C@@H]([C@@H]1CNCCO1)C(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-6(2)15-8(9(10,11)12)7-5-13-3-4-14-7/h6-8,13H,3-5H2,1-2H3/t7-,8-/m0/s1
InChIKeyKYFIUSJBMNIJMB-YUMQZZPRSA-N
XLogP1.33
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[(1S)-2,2,2-trifluoro-1-propan-2-yloxyethyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1S)-2,2,2-trifluoro-1-propan-2-yloxyethyl]morpholine?
The IUPAC name of (2S)-2-[(1S)-2,2,2-trifluoro-1-propan-2-yloxyethyl]morpholine (CID 176863690) is (2S)-2-[(1S)-2,2,2-trifluoro-1-propan-2-yloxyethyl]morpholine.
What is the SMILES notation for (2S)-2-[(1S)-2,2,2-trifluoro-1-propan-2-yloxyethyl]morpholine?
The canonical SMILES for (2S)-2-[(1S)-2,2,2-trifluoro-1-propan-2-yloxyethyl]morpholine is CC(C)O[C@@H]([C@@H]1CNCCO1)C(F)(F)F.
What is the InChIKey of (2S)-2-[(1S)-2,2,2-trifluoro-1-propan-2-yloxyethyl]morpholine?
The InChIKey is KYFIUSJBMNIJMB-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H16F3NO2/c1-6(2)15-8(9(10,11)12)7-5-13-3-4-14-7/h6-8,13H,3-5H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of (2S)-2-[(1S)-2,2,2-trifluoro-1-propan-2-yloxyethyl]morpholine?
(2S)-2-[(1S)-2,2,2-trifluoro-1-propan-2-yloxyethyl]morpholine has a molecular weight of 227.23 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1S)-2,2,2-trifluoro-1-propan-2-yloxyethyl]morpholine is sourced from PubChem (CID 176863690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).