(2S)-3-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-1,1,1-trifluoropropan-2-ol

C9H16F3NO2 — CID 7154279

IUPAC(2S)-3-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-1,1,1-trifluoropropan-2-ol
SMILESC[C@@H]1COC[C@H](C)N1C[C@H](O)C(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-6-4-15-5-7(2)13(6)3-8(14)9(10,11)12/h6-8,14H,3-5H2,1-2H3/t6-,7+,8-/m0/s1
InChIKeyQIPOCGLARRJCHF-RNJXMRFFSA-N
MW227.23 g/mol
LogP1.02
Rot. Bonds2

About (2S)-3-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-1,1,1-trifluoropropan-2-ol

(2S)-3-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-1,1,1-trifluoropropan-2-ol (PubChem CID 7154279) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is (2S)-3-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name(2S)-3-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-1,1,1-trifluoropropan-2-ol
PubChem CID7154279
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name(2S)-3-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-1,1,1-trifluoropropan-2-ol
SMILESC[C@@H]1COC[C@H](C)N1C[C@H](O)C(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-6-4-15-5-7(2)13(6)3-8(14)9(10,11)12/h6-8,14H,3-5H2,1-2H3/t6-,7+,8-/m0/s1
InChIKeyQIPOCGLARRJCHF-RNJXMRFFSA-N
XLogP1.02
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of (2S)-3-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-1,1,1-trifluoropropan-2-ol (CID 7154279) is (2S)-3-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for (2S)-3-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for (2S)-3-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-1,1,1-trifluoropropan-2-ol is C[C@@H]1COC[C@H](C)N1C[C@H](O)C(F)(F)F.
What is the InChIKey of (2S)-3-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is QIPOCGLARRJCHF-RNJXMRFFSA-N. The full InChI is InChI=1S/C9H16F3NO2/c1-6-4-15-5-7(2)13(6)3-8(14)9(10,11)12/h6-8,14H,3-5H2,1-2H3/t6-,7+,8-/m0/s1.
What are the key properties of (2S)-3-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-1,1,1-trifluoropropan-2-ol?
(2S)-3-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 227.23 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 7154279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).