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

C32H62F6N4O4 — CID 165059577

IUPAC(2R)-2-methyl-4-propan-2-ylmorpholine;(2S)-2-methyl-4-propan-2-ylmorpholine;(3R)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(3S)-4-propan-2-yl-3-(trifluoromethyl)morpholine
SMILESCC(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
InChIInChI=1S/2C8H14F3NO.2C8H17NO/c2*1-6(2)12-3-4-13-5-7(12)8(9,10)11;2*1-7(2)9-4-5-10-8(3)6-9/h2*6-7H,3-5H2,1-2H3;2*7-8H,4-6H2,1-3H3/t2*7-;2*8-/m1010/s1
InChIKeyQZCAFLKJYPOEOQ-OGWKOCSVSA-N
MW680.86 g/mol
LogP5.55
Rot. Bonds4

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

(2R)-2-methyl-4-propan-2-ylmorpholine;(2S)-2-methyl-4-propan-2-ylmorpholine;(3R)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(3S)-4-propan-2-yl-3-(trifluoromethyl)morpholine (PubChem CID 165059577) has the molecular formula C32H62F6N4O4 and a molecular weight of 680.86 g/mol. Its IUPAC name is (2R)-2-methyl-4-propan-2-ylmorpholine;(2S)-2-methyl-4-propan-2-ylmorpholine;(3R)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(3S)-4-propan-2-yl-3-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name(2R)-2-methyl-4-propan-2-ylmorpholine;(2S)-2-methyl-4-propan-2-ylmorpholine;(3R)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(3S)-4-propan-2-yl-3-(trifluoromethyl)morpholine
PubChem CID165059577
Molecular FormulaC32H62F6N4O4
Molecular Weight680.86 g/mol
Exact Mass680.47
IUPAC Name(2R)-2-methyl-4-propan-2-ylmorpholine;(2S)-2-methyl-4-propan-2-ylmorpholine;(3R)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(3S)-4-propan-2-yl-3-(trifluoromethyl)morpholine
SMILESCC(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
InChIInChI=1S/2C8H14F3NO.2C8H17NO/c2*1-6(2)12-3-4-13-5-7(12)8(9,10)11;2*1-7(2)9-4-5-10-8(3)6-9/h2*6-7H,3-5H2,1-2H3;2*7-8H,4-6H2,1-3H3/t2*7-;2*8-/m1010/s1
InChIKeyQZCAFLKJYPOEOQ-OGWKOCSVSA-N
XLogP5.55
TPSA49.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.86
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-4-propan-2-ylmorpholine;(2S)-2-methyl-4-propan-2-ylmorpholine;(3R)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(3S)-4-propan-2-yl-3-(trifluoromethyl)morpholine?
The IUPAC name of (2R)-2-methyl-4-propan-2-ylmorpholine;(2S)-2-methyl-4-propan-2-ylmorpholine;(3R)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(3S)-4-propan-2-yl-3-(trifluoromethyl)morpholine (CID 165059577) is (2R)-2-methyl-4-propan-2-ylmorpholine;(2S)-2-methyl-4-propan-2-ylmorpholine;(3R)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(3S)-4-propan-2-yl-3-(trifluoromethyl)morpholine.
What is the SMILES notation for (2R)-2-methyl-4-propan-2-ylmorpholine;(2S)-2-methyl-4-propan-2-ylmorpholine;(3R)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(3S)-4-propan-2-yl-3-(trifluoromethyl)morpholine?
The canonical SMILES for (2R)-2-methyl-4-propan-2-ylmorpholine;(2S)-2-methyl-4-propan-2-ylmorpholine;(3R)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(3S)-4-propan-2-yl-3-(trifluoromethyl)morpholine is 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.
What is the InChIKey of (2R)-2-methyl-4-propan-2-ylmorpholine;(2S)-2-methyl-4-propan-2-ylmorpholine;(3R)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(3S)-4-propan-2-yl-3-(trifluoromethyl)morpholine?
The InChIKey is QZCAFLKJYPOEOQ-OGWKOCSVSA-N. The full InChI is InChI=1S/2C8H14F3NO.2C8H17NO/c2*1-6(2)12-3-4-13-5-7(12)8(9,10)11;2*1-7(2)9-4-5-10-8(3)6-9/h2*6-7H,3-5H2,1-2H3;2*7-8H,4-6H2,1-3H3/t2*7-;2*8-/m1010/s1.
What are the key properties of (2R)-2-methyl-4-propan-2-ylmorpholine;(2S)-2-methyl-4-propan-2-ylmorpholine;(3R)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(3S)-4-propan-2-yl-3-(trifluoromethyl)morpholine?
(2R)-2-methyl-4-propan-2-ylmorpholine;(2S)-2-methyl-4-propan-2-ylmorpholine;(3R)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(3S)-4-propan-2-yl-3-(trifluoromethyl)morpholine has a molecular weight of 680.86 g/mol, XLogP of 5.55, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-4-propan-2-ylmorpholine;(2S)-2-methyl-4-propan-2-ylmorpholine;(3R)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(3S)-4-propan-2-yl-3-(trifluoromethyl)morpholine is sourced from PubChem (CID 165059577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).