bis((2R)-2-methyl-4-propan-2-ylmorpholine);bis((2S)-2-methyl-4-propan-2-ylmorpholine);(3R)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(3S)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperidine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperidine

C66H128F12N8O6 — CID 165044214

IUPACbis((2R)-2-methyl-4-propan-2-ylmorpholine);bis((2S)-2-methyl-4-propan-2-ylmorpholine);(3R)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(3S)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperidine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperidine
SMILESCC(C)N1CCCC[C@@H]1C(F)(F)F.CC(C)N1CCCC[C@H]1C(F)(F)F.CC(C)N1CCOC[C@@H]1C(F)(F)F.CC(C)N1CCOC[C@H]1C(F)(F)F.CC(C)N1CCO[C@@H](C)C1.CC(C)N1CCO[C@@H](C)C1.CC(C)N1CCO[C@H](C)C1.CC(C)N1CCO[C@H](C)C1
InChIInChI=1S/2C9H16F3N.2C8H14F3NO.4C8H17NO/c2*1-7(2)13-6-4-3-5-8(13)9(10,11)12;2*1-6(2)12-3-4-13-5-7(12)8(9,10)11;4*1-7(2)9-4-5-10-8(3)6-9/h2*7-8H,3-6H2,1-2H3;2*6-7H,3-5H2,1-2H3;4*7-8H,4-6H2,1-3H3/t2*8-;2*7-;4*8-/m10101100/s1
InChIKeyOPWXLJOUNCVDPN-RJUZCIQHSA-N
MW1357.78 g/mol
LogP13.40
Rot. Bonds8

About bis((2R)-2-methyl-4-propan-2-ylmorpholine);bis((2S)-2-methyl-4-propan-2-ylmorpholine);(3R)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(3S)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperidine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperidine

bis((2R)-2-methyl-4-propan-2-ylmorpholine);bis((2S)-2-methyl-4-propan-2-ylmorpholine);(3R)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(3S)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperidine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperidine (PubChem CID 165044214) has the molecular formula C66H128F12N8O6 and a molecular weight of 1357.78 g/mol. Its IUPAC name is bis((2R)-2-methyl-4-propan-2-ylmorpholine);bis((2S)-2-methyl-4-propan-2-ylmorpholine);(3R)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(3S)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperidine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperidine.

Molecular Properties

Compound Namebis((2R)-2-methyl-4-propan-2-ylmorpholine);bis((2S)-2-methyl-4-propan-2-ylmorpholine);(3R)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(3S)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperidine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperidine
PubChem CID165044214
Molecular FormulaC66H128F12N8O6
Molecular Weight1357.78 g/mol
Exact Mass1356.98
IUPAC Namebis((2R)-2-methyl-4-propan-2-ylmorpholine);bis((2S)-2-methyl-4-propan-2-ylmorpholine);(3R)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(3S)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperidine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperidine
SMILESCC(C)N1CCCC[C@@H]1C(F)(F)F.CC(C)N1CCCC[C@H]1C(F)(F)F.CC(C)N1CCOC[C@@H]1C(F)(F)F.CC(C)N1CCOC[C@H]1C(F)(F)F.CC(C)N1CCO[C@@H](C)C1.CC(C)N1CCO[C@@H](C)C1.CC(C)N1CCO[C@H](C)C1.CC(C)N1CCO[C@H](C)C1
InChIInChI=1S/2C9H16F3N.2C8H14F3NO.4C8H17NO/c2*1-7(2)13-6-4-3-5-8(13)9(10,11)12;2*1-6(2)12-3-4-13-5-7(12)8(9,10)11;4*1-7(2)9-4-5-10-8(3)6-9/h2*7-8H,3-6H2,1-2H3;2*6-7H,3-5H2,1-2H3;4*7-8H,4-6H2,1-3H3/t2*8-;2*7-;4*8-/m10101100/s1
InChIKeyOPWXLJOUNCVDPN-RJUZCIQHSA-N
XLogP13.40
TPSA81.30 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001357.78
LogP ≤ 513.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze bis((2R)-2-methyl-4-propan-2-ylmorpholine);bis((2S)-2-methyl-4-propan-2-ylmorpholine);(3R)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(3S)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperidine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis((2R)-2-methyl-4-propan-2-ylmorpholine);bis((2S)-2-methyl-4-propan-2-ylmorpholine);(3R)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(3S)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperidine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperidine?
The IUPAC name of bis((2R)-2-methyl-4-propan-2-ylmorpholine);bis((2S)-2-methyl-4-propan-2-ylmorpholine);(3R)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(3S)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperidine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperidine (CID 165044214) is bis((2R)-2-methyl-4-propan-2-ylmorpholine);bis((2S)-2-methyl-4-propan-2-ylmorpholine);(3R)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(3S)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperidine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperidine.
What is the SMILES notation for bis((2R)-2-methyl-4-propan-2-ylmorpholine);bis((2S)-2-methyl-4-propan-2-ylmorpholine);(3R)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(3S)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperidine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperidine?
The canonical SMILES for bis((2R)-2-methyl-4-propan-2-ylmorpholine);bis((2S)-2-methyl-4-propan-2-ylmorpholine);(3R)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(3S)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperidine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperidine is CC(C)N1CCCC[C@@H]1C(F)(F)F.CC(C)N1CCCC[C@H]1C(F)(F)F.CC(C)N1CCOC[C@@H]1C(F)(F)F.CC(C)N1CCOC[C@H]1C(F)(F)F.CC(C)N1CCO[C@@H](C)C1.CC(C)N1CCO[C@@H](C)C1.CC(C)N1CCO[C@H](C)C1.CC(C)N1CCO[C@H](C)C1.
What is the InChIKey of bis((2R)-2-methyl-4-propan-2-ylmorpholine);bis((2S)-2-methyl-4-propan-2-ylmorpholine);(3R)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(3S)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperidine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperidine?
The InChIKey is OPWXLJOUNCVDPN-RJUZCIQHSA-N. The full InChI is InChI=1S/2C9H16F3N.2C8H14F3NO.4C8H17NO/c2*1-7(2)13-6-4-3-5-8(13)9(10,11)12;2*1-6(2)12-3-4-13-5-7(12)8(9,10)11;4*1-7(2)9-4-5-10-8(3)6-9/h2*7-8H,3-6H2,1-2H3;2*6-7H,3-5H2,1-2H3;4*7-8H,4-6H2,1-3H3/t2*8-;2*7-;4*8-/m10101100/s1.
What are the key properties of bis((2R)-2-methyl-4-propan-2-ylmorpholine);bis((2S)-2-methyl-4-propan-2-ylmorpholine);(3R)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(3S)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperidine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperidine?
bis((2R)-2-methyl-4-propan-2-ylmorpholine);bis((2S)-2-methyl-4-propan-2-ylmorpholine);(3R)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(3S)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperidine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperidine has a molecular weight of 1357.78 g/mol, XLogP of 13.40, 8 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for bis((2R)-2-methyl-4-propan-2-ylmorpholine);bis((2S)-2-methyl-4-propan-2-ylmorpholine);(3R)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(3S)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperidine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperidine is sourced from PubChem (CID 165044214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).