(2R)-2-(thiophen-2-ylmethyl)-4-[(2S)-3,3,3-trifluoro-2-[(2S)-1,1,1-trifluoro-3-[(2R)-2-(thiophen-2-ylmethyl)morpholin-4-yl]propan-2-yl]oxypropyl]morpholine

C24H30F6N2O3S2 — CID 142767954

IUPAC(2R)-2-(thiophen-2-ylmethyl)-4-[(2S)-3,3,3-trifluoro-2-[(2S)-1,1,1-trifluoro-3-[(2R)-2-(thiophen-2-ylmethyl)morpholin-4-yl]propan-2-yl]oxypropyl]morpholine
SMILESFC(F)(F)[C@H](CN1CCO[C@H](Cc2cccs2)C1)O[C@@H](CN1CCO[C@H](Cc2cccs2)C1)C(F)(F)F
InChIInChI=1S/C24H30F6N2O3S2/c25-23(26,27)21(15-31-5-7-33-17(13-31)11-19-3-1-9-36-19)35-22(24(28,29)30)16-32-6-8-34-18(14-32)12-20-4-2-10-37-20/h1-4,9-10,17-18,21-22H,5-8,11-16H2/t17-,18-,21+,22+/m1/s1
InChIKeyZDQHIJGQLCEMCR-UBBRYJJRSA-N
MW572.64 g/mol
LogP4.87
Rot. Bonds10

About (2R)-2-(thiophen-2-ylmethyl)-4-[(2S)-3,3,3-trifluoro-2-[(2S)-1,1,1-trifluoro-3-[(2R)-2-(thiophen-2-ylmethyl)morpholin-4-yl]propan-2-yl]oxypropyl]morpholine

(2R)-2-(thiophen-2-ylmethyl)-4-[(2S)-3,3,3-trifluoro-2-[(2S)-1,1,1-trifluoro-3-[(2R)-2-(thiophen-2-ylmethyl)morpholin-4-yl]propan-2-yl]oxypropyl]morpholine (PubChem CID 142767954) has the molecular formula C24H30F6N2O3S2 and a molecular weight of 572.64 g/mol. Its IUPAC name is (2R)-2-(thiophen-2-ylmethyl)-4-[(2S)-3,3,3-trifluoro-2-[(2S)-1,1,1-trifluoro-3-[(2R)-2-(thiophen-2-ylmethyl)morpholin-4-yl]propan-2-yl]oxypropyl]morpholine.

Molecular Properties

Compound Name(2R)-2-(thiophen-2-ylmethyl)-4-[(2S)-3,3,3-trifluoro-2-[(2S)-1,1,1-trifluoro-3-[(2R)-2-(thiophen-2-ylmethyl)morpholin-4-yl]propan-2-yl]oxypropyl]morpholine
PubChem CID142767954
Molecular FormulaC24H30F6N2O3S2
Molecular Weight572.64 g/mol
Exact Mass572.16
IUPAC Name(2R)-2-(thiophen-2-ylmethyl)-4-[(2S)-3,3,3-trifluoro-2-[(2S)-1,1,1-trifluoro-3-[(2R)-2-(thiophen-2-ylmethyl)morpholin-4-yl]propan-2-yl]oxypropyl]morpholine
SMILESFC(F)(F)[C@H](CN1CCO[C@H](Cc2cccs2)C1)O[C@@H](CN1CCO[C@H](Cc2cccs2)C1)C(F)(F)F
InChIInChI=1S/C24H30F6N2O3S2/c25-23(26,27)21(15-31-5-7-33-17(13-31)11-19-3-1-9-36-19)35-22(24(28,29)30)16-32-6-8-34-18(14-32)12-20-4-2-10-37-20/h1-4,9-10,17-18,21-22H,5-8,11-16H2/t17-,18-,21+,22+/m1/s1
InChIKeyZDQHIJGQLCEMCR-UBBRYJJRSA-N
XLogP4.87
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.64
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2R)-2-(thiophen-2-ylmethyl)-4-[(2S)-3,3,3-trifluoro-2-[(2S)-1,1,1-trifluoro-3-[(2R)-2-(thiophen-2-ylmethyl)morpholin-4-yl]propan-2-yl]oxypropyl]morpholine with MolForge

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Related Compounds

(2S)-1,1,1-trifluoro-3-[(2R)-2-(thiophen-2-ylmethyl)morpholin-4-yl]propan-2-ol
CID 117871961
1,1,1-Trifluoro-3-[2-(thiophen-2-ylmethyl)morpholin-4-yl]propan-2-ol
CID 117871964
(2R)-2-(thiophen-2-ylmethyl)-4-[(2S)-3,3,3-trifluoro-2-[(2S)-1,1,1-trifluoro-3-[(2R)-2-(thiophen-2-ylmethyl)morpholin-4-yl]propan-2-yl]oxypropyl]morpholine;hydrochloride
CID 142767953
[(2S)-1,1,1-trifluoro-3-[(2R)-2-(thiophen-2-ylmethyl)morpholin-4-yl]propan-2-yl] carbamate
CID 142726075
1-(2-Cyclohexyloxyethyl)-4-(dithiophen-2-ylmethylidene)piperidine
CID 54353790
4-[3-[5-[5-(3-Morpholin-4-ylpropyl)thiophen-2-yl]thiophen-2-yl]propyl]morpholine
CID 170871185
4-[3-[5-[4-[5-(3-Morpholin-4-ylpropyl)thiophen-2-yl]butyl]thiophen-2-yl]propyl]morpholine
CID 170871207

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(thiophen-2-ylmethyl)-4-[(2S)-3,3,3-trifluoro-2-[(2S)-1,1,1-trifluoro-3-[(2R)-2-(thiophen-2-ylmethyl)morpholin-4-yl]propan-2-yl]oxypropyl]morpholine?
The IUPAC name of (2R)-2-(thiophen-2-ylmethyl)-4-[(2S)-3,3,3-trifluoro-2-[(2S)-1,1,1-trifluoro-3-[(2R)-2-(thiophen-2-ylmethyl)morpholin-4-yl]propan-2-yl]oxypropyl]morpholine (CID 142767954) is (2R)-2-(thiophen-2-ylmethyl)-4-[(2S)-3,3,3-trifluoro-2-[(2S)-1,1,1-trifluoro-3-[(2R)-2-(thiophen-2-ylmethyl)morpholin-4-yl]propan-2-yl]oxypropyl]morpholine.
What is the SMILES notation for (2R)-2-(thiophen-2-ylmethyl)-4-[(2S)-3,3,3-trifluoro-2-[(2S)-1,1,1-trifluoro-3-[(2R)-2-(thiophen-2-ylmethyl)morpholin-4-yl]propan-2-yl]oxypropyl]morpholine?
The canonical SMILES for (2R)-2-(thiophen-2-ylmethyl)-4-[(2S)-3,3,3-trifluoro-2-[(2S)-1,1,1-trifluoro-3-[(2R)-2-(thiophen-2-ylmethyl)morpholin-4-yl]propan-2-yl]oxypropyl]morpholine is FC(F)(F)[C@H](CN1CCO[C@H](Cc2cccs2)C1)O[C@@H](CN1CCO[C@H](Cc2cccs2)C1)C(F)(F)F.
What is the InChIKey of (2R)-2-(thiophen-2-ylmethyl)-4-[(2S)-3,3,3-trifluoro-2-[(2S)-1,1,1-trifluoro-3-[(2R)-2-(thiophen-2-ylmethyl)morpholin-4-yl]propan-2-yl]oxypropyl]morpholine?
The InChIKey is ZDQHIJGQLCEMCR-UBBRYJJRSA-N. The full InChI is InChI=1S/C24H30F6N2O3S2/c25-23(26,27)21(15-31-5-7-33-17(13-31)11-19-3-1-9-36-19)35-22(24(28,29)30)16-32-6-8-34-18(14-32)12-20-4-2-10-37-20/h1-4,9-10,17-18,21-22H,5-8,11-16H2/t17-,18-,21+,22+/m1/s1.
What are the key properties of (2R)-2-(thiophen-2-ylmethyl)-4-[(2S)-3,3,3-trifluoro-2-[(2S)-1,1,1-trifluoro-3-[(2R)-2-(thiophen-2-ylmethyl)morpholin-4-yl]propan-2-yl]oxypropyl]morpholine?
(2R)-2-(thiophen-2-ylmethyl)-4-[(2S)-3,3,3-trifluoro-2-[(2S)-1,1,1-trifluoro-3-[(2R)-2-(thiophen-2-ylmethyl)morpholin-4-yl]propan-2-yl]oxypropyl]morpholine has a molecular weight of 572.64 g/mol, XLogP of 4.87, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(thiophen-2-ylmethyl)-4-[(2S)-3,3,3-trifluoro-2-[(2S)-1,1,1-trifluoro-3-[(2R)-2-(thiophen-2-ylmethyl)morpholin-4-yl]propan-2-yl]oxypropyl]morpholine is sourced from PubChem (CID 142767954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).