(3S)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholine

C19H17F6NO2 — CID 140974148

IUPAC(3S)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholine
SMILESFC(F)(F)c1cc(CON2CCOC[C@@H]2c2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C19H17F6NO2/c20-18(21,22)15-8-13(9-16(10-15)19(23,24)25)11-28-26-6-7-27-12-17(26)14-4-2-1-3-5-14/h1-5,8-10,17H,6-7,11-12H2/t17-/m1/s1
InChIKeyBWUSTWMOTFKKOJ-QGZVFWFLSA-N
MW405.34 g/mol
LogP5.23
Rot. Bonds4

About (3S)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholine

(3S)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholine (PubChem CID 140974148) has the molecular formula C19H17F6NO2 and a molecular weight of 405.34 g/mol. Its IUPAC name is (3S)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholine.

Molecular Properties

Compound Name(3S)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholine
PubChem CID140974148
Molecular FormulaC19H17F6NO2
Molecular Weight405.34 g/mol
Exact Mass405.12
IUPAC Name(3S)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholine
SMILESFC(F)(F)c1cc(CON2CCOC[C@@H]2c2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C19H17F6NO2/c20-18(21,22)15-8-13(9-16(10-15)19(23,24)25)11-28-26-6-7-27-12-17(26)14-4-2-1-3-5-14/h1-5,8-10,17H,6-7,11-12H2/t17-/m1/s1
InChIKeyBWUSTWMOTFKKOJ-QGZVFWFLSA-N
XLogP5.23
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.34
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholine?
The IUPAC name of (3S)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholine (CID 140974148) is (3S)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholine.
What is the SMILES notation for (3S)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholine?
The canonical SMILES for (3S)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholine is FC(F)(F)c1cc(CON2CCOC[C@@H]2c2ccccc2)cc(C(F)(F)F)c1.
What is the InChIKey of (3S)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholine?
The InChIKey is BWUSTWMOTFKKOJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H17F6NO2/c20-18(21,22)15-8-13(9-16(10-15)19(23,24)25)11-28-26-6-7-27-12-17(26)14-4-2-1-3-5-14/h1-5,8-10,17H,6-7,11-12H2/t17-/m1/s1.
What are the key properties of (3S)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholine?
(3S)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholine has a molecular weight of 405.34 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholine is sourced from PubChem (CID 140974148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).