2-[(S)-phenyl-[2-(trifluoromethoxy)phenoxy]methyl]morpholine

C18H18F3NO3 — CID 68542186

IUPAC2-[(S)-phenyl-[2-(trifluoromethoxy)phenoxy]methyl]morpholine
SMILESFC(F)(F)Oc1ccccc1O[C@@H](c1ccccc1)C1CNCCO1
InChIInChI=1S/C18H18F3NO3/c19-18(20,21)25-15-9-5-4-8-14(15)24-17(13-6-2-1-3-7-13)16-12-22-10-11-23-16/h1-9,16-17,22H,10-12H2/t16?,17-/m0/s1
InChIKeyPMVRTLFGFQTMRD-DJNXLDHESA-N
MW353.34 g/mol
LogP3.69
Rot. Bonds5

About 2-[(S)-phenyl-[2-(trifluoromethoxy)phenoxy]methyl]morpholine

2-[(S)-phenyl-[2-(trifluoromethoxy)phenoxy]methyl]morpholine (PubChem CID 68542186) has the molecular formula C18H18F3NO3 and a molecular weight of 353.34 g/mol. Its IUPAC name is 2-[(S)-phenyl-[2-(trifluoromethoxy)phenoxy]methyl]morpholine.

Molecular Properties

Compound Name2-[(S)-phenyl-[2-(trifluoromethoxy)phenoxy]methyl]morpholine
PubChem CID68542186
Molecular FormulaC18H18F3NO3
Molecular Weight353.34 g/mol
Exact Mass353.12
IUPAC Name2-[(S)-phenyl-[2-(trifluoromethoxy)phenoxy]methyl]morpholine
SMILESFC(F)(F)Oc1ccccc1O[C@@H](c1ccccc1)C1CNCCO1
InChIInChI=1S/C18H18F3NO3/c19-18(20,21)25-15-9-5-4-8-14(15)24-17(13-6-2-1-3-7-13)16-12-22-10-11-23-16/h1-9,16-17,22H,10-12H2/t16?,17-/m0/s1
InChIKeyPMVRTLFGFQTMRD-DJNXLDHESA-N
XLogP3.69
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(S)-(2-methylphenoxy)-phenylmethyl]morpholine
CID 45101528
(2S)-2-[(S)-(2,5-difluorophenoxy)-phenylmethyl]morpholine
CID 59166996
(2R)-2-[(R)-(2-ethoxyphenoxy)-phenylmethyl]morpholine;hydrochloride
CID 46178247
2-[(S)-phenyl-(2-phenylmethoxyphenoxy)methyl]morpholine
CID 68545339
(2S)-2-[(S)-(6-methoxy-2-pyridinyl)-[2-(trifluoromethoxy)phenoxy]methyl]morpholine
CID 59166931
(2S)-2-[phenoxy(phenyl)methyl]morpholine
CID 68539153
2-[[(2S)-morpholin-2-yl]-phenylmethoxy]benzonitrile
CID 68538390
(2S)-2-[phenyl-(2-piperazin-1-ylphenoxy)methyl]morpholine
CID 68538619
2-[[2-(methoxymethyl)phenoxy]-phenylmethyl]morpholine
CID 11709415
2-[(4-chloro-2-fluorophenoxy)-phenylmethyl]morpholine
CID 68597322
(2S)-2-[(4-fluoro-2-methylsulfanylphenoxy)-phenylmethyl]morpholine
CID 68542716
2-[(2-ethoxyphenoxy)-[4-(trifluoromethyl)phenyl]methyl]morpholine
CID 23458462

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-phenyl-[2-(trifluoromethoxy)phenoxy]methyl]morpholine?
The IUPAC name of 2-[(S)-phenyl-[2-(trifluoromethoxy)phenoxy]methyl]morpholine (CID 68542186) is 2-[(S)-phenyl-[2-(trifluoromethoxy)phenoxy]methyl]morpholine.
What is the SMILES notation for 2-[(S)-phenyl-[2-(trifluoromethoxy)phenoxy]methyl]morpholine?
The canonical SMILES for 2-[(S)-phenyl-[2-(trifluoromethoxy)phenoxy]methyl]morpholine is FC(F)(F)Oc1ccccc1O[C@@H](c1ccccc1)C1CNCCO1.
What is the InChIKey of 2-[(S)-phenyl-[2-(trifluoromethoxy)phenoxy]methyl]morpholine?
The InChIKey is PMVRTLFGFQTMRD-DJNXLDHESA-N. The full InChI is InChI=1S/C18H18F3NO3/c19-18(20,21)25-15-9-5-4-8-14(15)24-17(13-6-2-1-3-7-13)16-12-22-10-11-23-16/h1-9,16-17,22H,10-12H2/t16?,17-/m0/s1.
What are the key properties of 2-[(S)-phenyl-[2-(trifluoromethoxy)phenoxy]methyl]morpholine?
2-[(S)-phenyl-[2-(trifluoromethoxy)phenoxy]methyl]morpholine has a molecular weight of 353.34 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-phenyl-[2-(trifluoromethoxy)phenoxy]methyl]morpholine is sourced from PubChem (CID 68542186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).