(2R,3S)-3-(4-fluorophenyl)-2-[(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]morpholine

C19H18F5NO2 — CID 142646309

IUPAC(2R,3S)-3-(4-fluorophenyl)-2-[(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]morpholine
SMILESC[C@H](O[C@H]1OCCN[C@H]1c1ccc(F)cc1)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C19H18F5NO2/c1-11(13-8-14(19(22,23)24)10-16(21)9-13)27-18-17(25-6-7-26-18)12-2-4-15(20)5-3-12/h2-5,8-11,17-18,25H,6-7H2,1H3/t11-,17-,18+/m0/s1
InChIKeyJWXUKAGXMGNASM-FJNPEDAXSA-N
MW387.35 g/mol
LogP4.75
Rot. Bonds4

About (2R,3S)-3-(4-fluorophenyl)-2-[(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]morpholine

(2R,3S)-3-(4-fluorophenyl)-2-[(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]morpholine (PubChem CID 142646309) has the molecular formula C19H18F5NO2 and a molecular weight of 387.35 g/mol. Its IUPAC name is (2R,3S)-3-(4-fluorophenyl)-2-[(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]morpholine.

Molecular Properties

Compound Name(2R,3S)-3-(4-fluorophenyl)-2-[(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]morpholine
PubChem CID142646309
Molecular FormulaC19H18F5NO2
Molecular Weight387.35 g/mol
Exact Mass387.13
IUPAC Name(2R,3S)-3-(4-fluorophenyl)-2-[(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]morpholine
SMILESC[C@H](O[C@H]1OCCN[C@H]1c1ccc(F)cc1)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C19H18F5NO2/c1-11(13-8-14(19(22,23)24)10-16(21)9-13)27-18-17(25-6-7-26-18)12-2-4-15(20)5-3-12/h2-5,8-11,17-18,25H,6-7H2,1H3/t11-,17-,18+/m0/s1
InChIKeyJWXUKAGXMGNASM-FJNPEDAXSA-N
XLogP4.75
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.35
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-(4-fluorophenyl)-2-[(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]morpholine?
The IUPAC name of (2R,3S)-3-(4-fluorophenyl)-2-[(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]morpholine (CID 142646309) is (2R,3S)-3-(4-fluorophenyl)-2-[(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]morpholine.
What is the SMILES notation for (2R,3S)-3-(4-fluorophenyl)-2-[(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]morpholine?
The canonical SMILES for (2R,3S)-3-(4-fluorophenyl)-2-[(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]morpholine is C[C@H](O[C@H]1OCCN[C@H]1c1ccc(F)cc1)c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of (2R,3S)-3-(4-fluorophenyl)-2-[(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]morpholine?
The InChIKey is JWXUKAGXMGNASM-FJNPEDAXSA-N. The full InChI is InChI=1S/C19H18F5NO2/c1-11(13-8-14(19(22,23)24)10-16(21)9-13)27-18-17(25-6-7-26-18)12-2-4-15(20)5-3-12/h2-5,8-11,17-18,25H,6-7H2,1H3/t11-,17-,18+/m0/s1.
What are the key properties of (2R,3S)-3-(4-fluorophenyl)-2-[(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]morpholine?
(2R,3S)-3-(4-fluorophenyl)-2-[(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]morpholine has a molecular weight of 387.35 g/mol, XLogP of 4.75, 4 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-[(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]morpholine is sourced from PubChem (CID 142646309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).