(2R)-4-benzyl-2-[1-phenyl-2-[2-(trifluoromethylsulfanyl)phenyl]ethyl]morpholine

C26H26F3NOS — CID 70333735

IUPAC(2R)-4-benzyl-2-[1-phenyl-2-[2-(trifluoromethylsulfanyl)phenyl]ethyl]morpholine
SMILESFC(F)(F)Sc1ccccc1CC(c1ccccc1)[C@@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C26H26F3NOS/c27-26(28,29)32-25-14-8-7-13-22(25)17-23(21-11-5-2-6-12-21)24-19-30(15-16-31-24)18-20-9-3-1-4-10-20/h1-14,23-24H,15-19H2/t23?,24-/m0/s1
InChIKeyRCSWFQHYAFJQAP-CGAIIQECSA-N
MW457.56 g/mol
LogP6.53
Rot. Bonds7

About (2R)-4-benzyl-2-[1-phenyl-2-[2-(trifluoromethylsulfanyl)phenyl]ethyl]morpholine

(2R)-4-benzyl-2-[1-phenyl-2-[2-(trifluoromethylsulfanyl)phenyl]ethyl]morpholine (PubChem CID 70333735) has the molecular formula C26H26F3NOS and a molecular weight of 457.56 g/mol. Its IUPAC name is (2R)-4-benzyl-2-[1-phenyl-2-[2-(trifluoromethylsulfanyl)phenyl]ethyl]morpholine.

Molecular Properties

Compound Name(2R)-4-benzyl-2-[1-phenyl-2-[2-(trifluoromethylsulfanyl)phenyl]ethyl]morpholine
PubChem CID70333735
Molecular FormulaC26H26F3NOS
Molecular Weight457.56 g/mol
Exact Mass457.17
IUPAC Name(2R)-4-benzyl-2-[1-phenyl-2-[2-(trifluoromethylsulfanyl)phenyl]ethyl]morpholine
SMILESFC(F)(F)Sc1ccccc1CC(c1ccccc1)[C@@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C26H26F3NOS/c27-26(28,29)32-25-14-8-7-13-22(25)17-23(21-11-5-2-6-12-21)24-19-30(15-16-31-24)18-20-9-3-1-4-10-20/h1-14,23-24H,15-19H2/t23?,24-/m0/s1
InChIKeyRCSWFQHYAFJQAP-CGAIIQECSA-N
XLogP6.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.56
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-benzyl-2-[2-(5-fluoro-2-methoxyphenyl)-1-phenylethyl]morpholine
CID 70335932
CID 89203711
CID 89203711
(R)-[(2R)-4-benzylmorpholin-2-yl]-phenylmethanol
CID 58997974
(R)-[(2S)-4-benzylmorpholin-2-yl]-phenylmethanol
CID 58997973
(1S)-1-[(2S)-4-benzylmorpholin-2-yl]ethanamine
CID 95396414
[(2R)-4-benzylmorpholin-2-yl]-(4-fluorophenyl)methanol
CID 69431465
(2R)-4-benzyl-2-[bromo-(4-chlorophenyl)methyl]morpholine
CID 69434313
[(2R)-4-benzylmorpholin-2-yl]-(2-fluorophenyl)methanol
CID 69432470
1-(4-benzylmorpholin-2-yl)-1-phenyl-2-[2-(trifluoromethoxy)phenyl]ethanol
CID 69292293
(2S)-4-benzyl-2-[(S)-(4-chlorocyclohexa-1,5-dien-1-yl)-[2-(trifluoromethyl)phenyl]sulfanylmethyl]morpholine
CID 163761809
(2S)-4-benzyl-2-[(R)-(2,4-dichlorophenoxy)-phenylmethyl]morpholine
CID 68597691
(2S)-4-benzyl-2-[(2-fluorophenyl)-(2-methoxyphenyl)sulfanylmethyl]morpholine
CID 69130802

Frequently Asked Questions

What is the IUPAC name of (2R)-4-benzyl-2-[1-phenyl-2-[2-(trifluoromethylsulfanyl)phenyl]ethyl]morpholine?
The IUPAC name of (2R)-4-benzyl-2-[1-phenyl-2-[2-(trifluoromethylsulfanyl)phenyl]ethyl]morpholine (CID 70333735) is (2R)-4-benzyl-2-[1-phenyl-2-[2-(trifluoromethylsulfanyl)phenyl]ethyl]morpholine.
What is the SMILES notation for (2R)-4-benzyl-2-[1-phenyl-2-[2-(trifluoromethylsulfanyl)phenyl]ethyl]morpholine?
The canonical SMILES for (2R)-4-benzyl-2-[1-phenyl-2-[2-(trifluoromethylsulfanyl)phenyl]ethyl]morpholine is FC(F)(F)Sc1ccccc1CC(c1ccccc1)[C@@H]1CN(Cc2ccccc2)CCO1.
What is the InChIKey of (2R)-4-benzyl-2-[1-phenyl-2-[2-(trifluoromethylsulfanyl)phenyl]ethyl]morpholine?
The InChIKey is RCSWFQHYAFJQAP-CGAIIQECSA-N. The full InChI is InChI=1S/C26H26F3NOS/c27-26(28,29)32-25-14-8-7-13-22(25)17-23(21-11-5-2-6-12-21)24-19-30(15-16-31-24)18-20-9-3-1-4-10-20/h1-14,23-24H,15-19H2/t23?,24-/m0/s1.
What are the key properties of (2R)-4-benzyl-2-[1-phenyl-2-[2-(trifluoromethylsulfanyl)phenyl]ethyl]morpholine?
(2R)-4-benzyl-2-[1-phenyl-2-[2-(trifluoromethylsulfanyl)phenyl]ethyl]morpholine has a molecular weight of 457.56 g/mol, XLogP of 6.53, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-benzyl-2-[1-phenyl-2-[2-(trifluoromethylsulfanyl)phenyl]ethyl]morpholine is sourced from PubChem (CID 70333735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).