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

C19H17F6NO2 — CID 10811257

IUPAC(2S,3R)-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-/m1/s1
InChIKeyFUQXMZQIUQTJPV-ZYMOGRSISA-N
MW405.34 g/mol
LogP4.93
Rot. Bonds4

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

(2S,3R)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholine (PubChem CID 10811257) has the molecular formula C19H17F6NO2 and a molecular weight of 405.34 g/mol. Its IUPAC name is (2S,3R)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholine.

Molecular Properties

Compound Name(2S,3R)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholine
PubChem CID10811257
Molecular FormulaC19H17F6NO2
Molecular Weight405.34 g/mol
Exact Mass405.12
IUPAC Name(2S,3R)-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-/m1/s1
InChIKeyFUQXMZQIUQTJPV-ZYMOGRSISA-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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Related Compounds

(2S,3S)-3-((3,5-Bis(trifluoromethyl)phenyl)methoxy)-2-phenylpiperidine
CID 132846
L-733,060 hydrochloride
CID 11957600
(S)-2-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-2-phenylpiperidine
CID 11712457
3-Benzyloxy-2-phenyl-piperidine
CID 44331794
1-[2-[(3,5-Difluorophenyl)methoxy]-1-phenylethyl]piperazine
CID 44338530
2-({[3,5-Bis(trifluoromethyl)phenyl]methoxy}methyl)-2-phenylpiperidine
CID 44346206
1-[2-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-1-(2-methylphenyl)ethyl]piperazine
CID 44358516
(2S,3S)-2-(3,5-Bis-trifluoromethyl-benzyloxy)-3-phenyl-morpholine
CID 9887525
2-[4-[2-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]piperazin-1-yl]acetonitrile
CID 10140125
(2R,3S)-2-(3,5-Bis-trifluoromethyl-benzyloxy)-3-phenyl-morpholine
CID 10501444
[(2S,3S)-2-(3,5-Bis-trifluoromethyl-benzyloxy)-3-phenyl-morpholin-4-yl]-acetic acid methyl ester
CID 10648288
(2R,3R)-2-(3,5-Bis-trifluoromethyl-benzyloxy)-3-phenyl-morpholine
CID 10692651

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholine?
The IUPAC name of (2S,3R)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholine (CID 10811257) is (2S,3R)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholine.
What is the SMILES notation for (2S,3R)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholine?
The canonical SMILES for (2S,3R)-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 (2S,3R)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholine?
The InChIKey is FUQXMZQIUQTJPV-ZYMOGRSISA-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-/m1/s1.
What are the key properties of (2S,3R)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholine?
(2S,3R)-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 (2S,3R)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholine is sourced from PubChem (CID 10811257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).