(2S)-3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-1,1,1-trifluoropropan-2-ol

C9H17F3NO2+ — CID 7062087

IUPAC(2S)-3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-1,1,1-trifluoropropan-2-ol
SMILESC[C@H]1C[NH+](C[C@H](O)C(F)(F)F)C[C@H](C)O1
InChIInChI=1S/C9H16F3NO2/c1-6-3-13(4-7(2)15-6)5-8(14)9(10,11)12/h6-8,14H,3-5H2,1-2H3/p+1/t6-,7-,8-/m0/s1
InChIKeyWVPXEOVLFHYBAJ-FXQIFTODSA-O
MW228.23 g/mol
LogP-0.40
Rot. Bonds2

About (2S)-3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-1,1,1-trifluoropropan-2-ol

(2S)-3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-1,1,1-trifluoropropan-2-ol (PubChem CID 7062087) has the molecular formula C9H17F3NO2+ and a molecular weight of 228.23 g/mol. Its IUPAC name is (2S)-3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name(2S)-3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-1,1,1-trifluoropropan-2-ol
PubChem CID7062087
Molecular FormulaC9H17F3NO2+
Molecular Weight228.23 g/mol
Exact Mass228.12
IUPAC Name(2S)-3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-1,1,1-trifluoropropan-2-ol
SMILESC[C@H]1C[NH+](C[C@H](O)C(F)(F)F)C[C@H](C)O1
InChIInChI=1S/C9H16F3NO2/c1-6-3-13(4-7(2)15-6)5-8(14)9(10,11)12/h6-8,14H,3-5H2,1-2H3/p+1/t6-,7-,8-/m0/s1
InChIKeyWVPXEOVLFHYBAJ-FXQIFTODSA-O
XLogP-0.40
TPSA33.90 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-1,1,1-trifluoropropan-2-ol with MolForge

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Related Compounds

1-(Methylamino)-3-(morpholin-4-yl)propan-2-ol
CID 4001215
1-Amino-3-(2-methylmorpholin-4-yl)propan-2-ol
CID 16788372
2-Methyl-6-(trifluoromethyl)morpholine
CID 63901303
1-[4-[[2-(2,2,2-Trifluoroethoxy)ethylamino]methyl]piperidin-1-yl]propan-2-ol
CID 56779871
3-(2,2-Dimethylmorpholin-4-yl)-1,1,1-trifluoropropan-2-ol
CID 63901430
(2R,6S)-2-Methyl-6-(trifluoromethyl)morpholine
CID 67216126
(2S,6R)-2-methyl-6-(trifluoromethyl)morpholine
CID 67216128
(2R,6R)-2-methyl-6-(trifluoromethyl)morpholine
CID 67216542
(2S,6S)-2-methyl-6-(trifluoromethyl)morpholine
CID 67358143
2-(Difluoromethyl)-6-methylmorpholine
CID 130618699
Ethane;2-(trifluoromethyl)morpholine
CID 153575688
1-[(2S)-2-[(tert-butylamino)methyl]morpholin-4-yl]-2,2,2-trifluoroethanol
CID 167166940

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of (2S)-3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-1,1,1-trifluoropropan-2-ol (CID 7062087) is (2S)-3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for (2S)-3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for (2S)-3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-1,1,1-trifluoropropan-2-ol is C[C@H]1C[NH+](C[C@H](O)C(F)(F)F)C[C@H](C)O1.
What is the InChIKey of (2S)-3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is WVPXEOVLFHYBAJ-FXQIFTODSA-O. The full InChI is InChI=1S/C9H16F3NO2/c1-6-3-13(4-7(2)15-6)5-8(14)9(10,11)12/h6-8,14H,3-5H2,1-2H3/p+1/t6-,7-,8-/m0/s1.
What are the key properties of (2S)-3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-1,1,1-trifluoropropan-2-ol?
(2S)-3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 228.23 g/mol, XLogP of -0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 7062087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).