(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

C24H31ClF6N2O3S2 — CID 142767953

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;hydrochloride
SMILESCl.FC(F)(F)[C@H](CN1CCO[C@H](Cc2cccs2)C1)O[C@@H](CN1CCO[C@H](Cc2cccs2)C1)C(F)(F)F
InChIInChI=1S/C24H30F6N2O3S2.ClH/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;1H/t17-,18-,21+,22+;/m1./s1
InChIKeySPEQNWXACTWKFK-AFHUPALISA-N
MW609.10 g/mol
LogP5.30
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;hydrochloride

(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 (PubChem CID 142767953) has the molecular formula C24H31ClF6N2O3S2 and a molecular weight of 609.10 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;hydrochloride.

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;hydrochloride
PubChem CID142767953
Molecular FormulaC24H31ClF6N2O3S2
Molecular Weight609.10 g/mol
Exact Mass608.14
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;hydrochloride
SMILESCl.FC(F)(F)[C@H](CN1CCO[C@H](Cc2cccs2)C1)O[C@@H](CN1CCO[C@H](Cc2cccs2)C1)C(F)(F)F
InChIInChI=1S/C24H30F6N2O3S2.ClH/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;1H/t17-,18-,21+,22+;/m1./s1
InChIKeySPEQNWXACTWKFK-AFHUPALISA-N
XLogP5.30
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.10
LogP ≤ 55.30
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;hydrochloride 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
[(2S)-1,1,1-trifluoro-3-[(2R)-2-(thiophen-2-ylmethyl)morpholin-4-yl]propan-2-yl] carbamate;hydrochloride
CID 142726074
[1,1,1-trifluoro-3-[(2R)-2-(thiophen-2-ylmethyl)morpholin-4-yl]propan-2-yl] carbonochloridate
CID 174758507
(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
1-(2-Cyclohexyloxyethyl)-4-(dithiophen-2-ylmethylidene)piperidine
CID 54353790
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;hydrochloride?
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;hydrochloride (CID 142767953) 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;hydrochloride.
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;hydrochloride?
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;hydrochloride is Cl.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;hydrochloride?
The InChIKey is SPEQNWXACTWKFK-AFHUPALISA-N. The full InChI is InChI=1S/C24H30F6N2O3S2.ClH/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;1H/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;hydrochloride?
(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 has a molecular weight of 609.10 g/mol, XLogP of 5.30, 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;hydrochloride is sourced from PubChem (CID 142767953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).