4-[(1R,2S)-2-[2-[2-(trifluoromethyl)phenyl]ethoxy]cyclohexyl]morpholine

C19H26F3NO2 — CID 10066909

IUPAC4-[(1R,2S)-2-[2-[2-(trifluoromethyl)phenyl]ethoxy]cyclohexyl]morpholine
SMILESFC(F)(F)c1ccccc1CCO[C@H]1CCCC[C@H]1N1CCOCC1
InChIInChI=1S/C19H26F3NO2/c20-19(21,22)16-6-2-1-5-15(16)9-12-25-18-8-4-3-7-17(18)23-10-13-24-14-11-23/h1-2,5-6,17-18H,3-4,7-14H2/t17-,18+/m1/s1
InChIKeyNMVFFWCXMIUZSW-MSOLQXFVSA-N
MW357.42 g/mol
LogP3.91
Rot. Bonds5

About 4-[(1R,2S)-2-[2-[2-(trifluoromethyl)phenyl]ethoxy]cyclohexyl]morpholine

4-[(1R,2S)-2-[2-[2-(trifluoromethyl)phenyl]ethoxy]cyclohexyl]morpholine (PubChem CID 10066909) has the molecular formula C19H26F3NO2 and a molecular weight of 357.42 g/mol. Its IUPAC name is 4-[(1R,2S)-2-[2-[2-(trifluoromethyl)phenyl]ethoxy]cyclohexyl]morpholine.

Molecular Properties

Compound Name4-[(1R,2S)-2-[2-[2-(trifluoromethyl)phenyl]ethoxy]cyclohexyl]morpholine
PubChem CID10066909
Molecular FormulaC19H26F3NO2
Molecular Weight357.42 g/mol
Exact Mass357.19
IUPAC Name4-[(1R,2S)-2-[2-[2-(trifluoromethyl)phenyl]ethoxy]cyclohexyl]morpholine
SMILESFC(F)(F)c1ccccc1CCO[C@H]1CCCC[C@H]1N1CCOCC1
InChIInChI=1S/C19H26F3NO2/c20-19(21,22)16-6-2-1-5-15(16)9-12-25-18-8-4-3-7-17(18)23-10-13-24-14-11-23/h1-2,5-6,17-18H,3-4,7-14H2/t17-,18+/m1/s1
InChIKeyNMVFFWCXMIUZSW-MSOLQXFVSA-N
XLogP3.91
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2S)-2-[2-[2-(trifluoromethyl)phenyl]ethoxy]cyclohexyl]morpholine?
The IUPAC name of 4-[(1R,2S)-2-[2-[2-(trifluoromethyl)phenyl]ethoxy]cyclohexyl]morpholine (CID 10066909) is 4-[(1R,2S)-2-[2-[2-(trifluoromethyl)phenyl]ethoxy]cyclohexyl]morpholine.
What is the SMILES notation for 4-[(1R,2S)-2-[2-[2-(trifluoromethyl)phenyl]ethoxy]cyclohexyl]morpholine?
The canonical SMILES for 4-[(1R,2S)-2-[2-[2-(trifluoromethyl)phenyl]ethoxy]cyclohexyl]morpholine is FC(F)(F)c1ccccc1CCO[C@H]1CCCC[C@H]1N1CCOCC1.
What is the InChIKey of 4-[(1R,2S)-2-[2-[2-(trifluoromethyl)phenyl]ethoxy]cyclohexyl]morpholine?
The InChIKey is NMVFFWCXMIUZSW-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H26F3NO2/c20-19(21,22)16-6-2-1-5-15(16)9-12-25-18-8-4-3-7-17(18)23-10-13-24-14-11-23/h1-2,5-6,17-18H,3-4,7-14H2/t17-,18+/m1/s1.
What are the key properties of 4-[(1R,2S)-2-[2-[2-(trifluoromethyl)phenyl]ethoxy]cyclohexyl]morpholine?
4-[(1R,2S)-2-[2-[2-(trifluoromethyl)phenyl]ethoxy]cyclohexyl]morpholine has a molecular weight of 357.42 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,2S)-2-[2-[2-(trifluoromethyl)phenyl]ethoxy]cyclohexyl]morpholine is sourced from PubChem (CID 10066909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).