(2R,3S)-3-(4-fluorophenyl)-2-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]morpholine

C19H18F5NO2 — CID 67760143

IUPAC(2R,3S)-3-(4-fluorophenyl)-2-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]morpholine
SMILESFc1ccc(C2NCCO[C@H]2OCCc2cc(F)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C19H18F5NO2/c20-15-3-1-13(2-4-15)17-18(27-8-6-25-17)26-7-5-12-9-14(19(22,23)24)11-16(21)10-12/h1-4,9-11,17-18,25H,5-8H2/t17?,18-/m1/s1
InChIKeyYGHPAGRRSOCBPM-QRWMCTBCSA-N
MW387.35 g/mol
LogP4.23
Rot. Bonds5

About (2R,3S)-3-(4-fluorophenyl)-2-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]morpholine

(2R,3S)-3-(4-fluorophenyl)-2-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]morpholine (PubChem CID 67760143) has the molecular formula C19H18F5NO2 and a molecular weight of 387.35 g/mol. Its IUPAC name is (2R,3S)-3-(4-fluorophenyl)-2-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]morpholine.

Molecular Properties

Compound Name(2R,3S)-3-(4-fluorophenyl)-2-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]morpholine
PubChem CID67760143
Molecular FormulaC19H18F5NO2
Molecular Weight387.35 g/mol
Exact Mass387.13
IUPAC Name(2R,3S)-3-(4-fluorophenyl)-2-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]morpholine
SMILESFc1ccc(C2NCCO[C@H]2OCCc2cc(F)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C19H18F5NO2/c20-15-3-1-13(2-4-15)17-18(27-8-6-25-17)26-7-5-12-9-14(19(22,23)24)11-16(21)10-12/h1-4,9-11,17-18,25H,5-8H2/t17?,18-/m1/s1
InChIKeyYGHPAGRRSOCBPM-QRWMCTBCSA-N
XLogP4.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.35
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-2-[2-[4-fluoro-3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenylmorpholine
CID 54551610
2-[2-[4-fluoro-3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenylmorpholine
CID 57100259
(2R,3S)-3-(4-fluorophenyl)-2-[(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]morpholine
CID 142646309
2-[2-(3-fluoro-5-propan-2-yloxyphenyl)ethoxy]-3-phenylmorpholine
CID 56981744
(2R,3S)-3-(4-fluorophenyl)-2-[2-(3-propan-2-yloxyphenyl)ethoxy]morpholine
CID 67754493
3-(4-fluorophenyl)-2-[1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]morpholine
CID 21348560
(2R,3S)-2-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-1,2-dideuterioethoxy]-3-(4-fluorophenyl)morpholine
CID 45038412
2-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]-3-phenyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]morpholine
CID 67605531
(6R)-6-[2-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-5-(4-fluorophenyl)-3,6-dihydro-2H-1,4-oxazine
CID 87763098
(2R,3S)-4-benzyl-3-(4-fluorophenyl)-2-[[3-fluoro-5-(trifluoromethyl)phenyl]methoxy]morpholine
CID 21308853
(2R,3S)-2-[(1R)-1-[4-chloro-3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine
CID 22860644
2-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]-3-phenyl-4-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)morpholine
CID 67691796

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-(4-fluorophenyl)-2-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]morpholine?
The IUPAC name of (2R,3S)-3-(4-fluorophenyl)-2-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]morpholine (CID 67760143) is (2R,3S)-3-(4-fluorophenyl)-2-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]morpholine.
What is the SMILES notation for (2R,3S)-3-(4-fluorophenyl)-2-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]morpholine?
The canonical SMILES for (2R,3S)-3-(4-fluorophenyl)-2-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]morpholine is Fc1ccc(C2NCCO[C@H]2OCCc2cc(F)cc(C(F)(F)F)c2)cc1.
What is the InChIKey of (2R,3S)-3-(4-fluorophenyl)-2-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]morpholine?
The InChIKey is YGHPAGRRSOCBPM-QRWMCTBCSA-N. The full InChI is InChI=1S/C19H18F5NO2/c20-15-3-1-13(2-4-15)17-18(27-8-6-25-17)26-7-5-12-9-14(19(22,23)24)11-16(21)10-12/h1-4,9-11,17-18,25H,5-8H2/t17?,18-/m1/s1.
What are the key properties of (2R,3S)-3-(4-fluorophenyl)-2-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]morpholine?
(2R,3S)-3-(4-fluorophenyl)-2-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]morpholine has a molecular weight of 387.35 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-(4-fluorophenyl)-2-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]morpholine is sourced from PubChem (CID 67760143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).