(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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Related Compounds

4-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine
CID 18695388
4-(3-phenylmorpholin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
CID 69101761
2-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholin-4-yl]acetamide
CID 10298340
3-phenyl-4-sulfanylmorpholine
CID 126759957
2-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]acetic acid
CID 19379348
2-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylpiperidin-1-yl]acetamide
CID 87675846
(3R)-3,4-diphenylmorpholine
CID 22860790
3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylcyclopentan-1-amine
CID 75024257
N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(2-phenylpiperidin-1-yl)propyl]formamide
CID 57164779
6-[(2S,3R)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholin-4-yl]hexanoic acid
CID 22860742
(5S)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-phenyl-4,5-dihydroimidazol-2-amine
CID 16682614
2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylpiperazine
CID 22393872

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).