(2R,3S)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholine

C19H17F6NO2 — CID 10501444

IUPAC(2R,3S)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholine
SMILESFC(F)(F)c1cc(CO[C@@H]2OCCNC2c2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C19H17F6NO2/c20-18(21,22)14-8-12(9-15(10-14)19(23,24)25)11-28-17-16(26-6-7-27-17)13-4-2-1-3-5-13/h1-5,8-10,16-17,26H,6-7,11H2/t16?,17-/m0/s1
InChIKeyFUQXMZQIUQTJPV-DJNXLDHESA-N
MW405.34 g/mol
LogP4.93
Rot. Bonds4

About (2R,3S)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholine

(2R,3S)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholine (PubChem CID 10501444) has the molecular formula C19H17F6NO2 and a molecular weight of 405.34 g/mol. Its IUPAC name is (2R,3S)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholine.

Molecular Properties

Compound Name(2R,3S)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholine
PubChem CID10501444
Molecular FormulaC19H17F6NO2
Molecular Weight405.34 g/mol
Exact Mass405.12
IUPAC Name(2R,3S)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholine
SMILESFC(F)(F)c1cc(CO[C@@H]2OCCNC2c2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C19H17F6NO2/c20-18(21,22)14-8-12(9-15(10-14)19(23,24)25)11-28-17-16(26-6-7-27-17)13-4-2-1-3-5-13/h1-5,8-10,16-17,26H,6-7,11H2/t16?,17-/m0/s1
InChIKeyFUQXMZQIUQTJPV-DJNXLDHESA-N
XLogP4.93
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.34
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholine?
The IUPAC name of (2R,3S)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholine (CID 10501444) is (2R,3S)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholine.
What is the SMILES notation for (2R,3S)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholine?
The canonical SMILES for (2R,3S)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholine is FC(F)(F)c1cc(CO[C@@H]2OCCNC2c2ccccc2)cc(C(F)(F)F)c1.
What is the InChIKey of (2R,3S)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholine?
The InChIKey is FUQXMZQIUQTJPV-DJNXLDHESA-N. The full InChI is InChI=1S/C19H17F6NO2/c20-18(21,22)14-8-12(9-15(10-14)19(23,24)25)11-28-17-16(26-6-7-27-17)13-4-2-1-3-5-13/h1-5,8-10,16-17,26H,6-7,11H2/t16?,17-/m0/s1.
What are the key properties of (2R,3S)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholine?
(2R,3S)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholine has a molecular weight of 405.34 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholine is sourced from PubChem (CID 10501444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).