(5S,6S)-4-benzyl-6-phenyl-5-(trifluoromethyl)morpholin-2-one

C18H16F3NO2 — CID 135030058

IUPAC(5S,6S)-4-benzyl-6-phenyl-5-(trifluoromethyl)morpholin-2-one
SMILESO=C1CN(Cc2ccccc2)[C@H](C(F)(F)F)[C@H](c2ccccc2)O1
InChIInChI=1S/C18H16F3NO2/c19-18(20,21)17-16(14-9-5-2-6-10-14)24-15(23)12-22(17)11-13-7-3-1-4-8-13/h1-10,16-17H,11-12H2/t16-,17-/m0/s1
InChIKeySJEFUWVTPOVKHS-IRXDYDNUSA-N
MW335.32 g/mol
LogP3.72
Rot. Bonds3

About (5S,6S)-4-benzyl-6-phenyl-5-(trifluoromethyl)morpholin-2-one

(5S,6S)-4-benzyl-6-phenyl-5-(trifluoromethyl)morpholin-2-one (PubChem CID 135030058) has the molecular formula C18H16F3NO2 and a molecular weight of 335.32 g/mol. Its IUPAC name is (5S,6S)-4-benzyl-6-phenyl-5-(trifluoromethyl)morpholin-2-one.

Molecular Properties

Compound Name(5S,6S)-4-benzyl-6-phenyl-5-(trifluoromethyl)morpholin-2-one
PubChem CID135030058
Molecular FormulaC18H16F3NO2
Molecular Weight335.32 g/mol
Exact Mass335.11
IUPAC Name(5S,6S)-4-benzyl-6-phenyl-5-(trifluoromethyl)morpholin-2-one
SMILESO=C1CN(Cc2ccccc2)[C@H](C(F)(F)F)[C@H](c2ccccc2)O1
InChIInChI=1S/C18H16F3NO2/c19-18(20,21)17-16(14-9-5-2-6-10-14)24-15(23)12-22(17)11-13-7-3-1-4-8-13/h1-10,16-17H,11-12H2/t16-,17-/m0/s1
InChIKeySJEFUWVTPOVKHS-IRXDYDNUSA-N
XLogP3.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-3-((3,5-Bis(trifluoromethyl)phenyl)methoxy)-2-phenylpiperidine
CID 132846
2-[3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-phenyl-piperidin-1-yl]-acetamide
CID 9890435
4-[1-Phenyl-2-[3,5-bis(trifluoromethyl)benzyloxy]ethyl]-1-piperazineacetic acid methyl ester
CID 10300825
N-benzyl-2-[(2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]-N-methylacetamide
CID 44346438
1-[2-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]-4-methylpiperazine
CID 44358612
4-[1-Phenyl-2-[3,5-bis(trifluoromethyl)benzyloxy]ethyl]-1-piperazineacetic acid
CID 10141196
[(2S,3S)-2-(3,5-Bis-trifluoromethyl-benzyloxy)-3-phenyl-morpholin-4-yl]-acetic acid methyl ester
CID 10648288
[(2S,3S)-2-(3,5-Bis-trifluoromethyl-benzyloxy)-3-phenyl-morpholin-4-yl]-acetic acid
CID 10695397
Jdh4VT5tsv
CID 11568372
4-[(S)-1-Phenyl-2-[3,5-bis(trifluoromethyl)benzyloxy]ethyl]-1-piperazineacetamide
CID 20811360
2-[4-[1-Phenyl-2-[3,5-bis(trifluoromethyl)benzyloxy]ethyl]piperazino]ethanol
CID 22353158
Ethyl 4-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]piperazine-1-carboxylate
CID 44358413

Frequently Asked Questions

What is the IUPAC name of (5S,6S)-4-benzyl-6-phenyl-5-(trifluoromethyl)morpholin-2-one?
The IUPAC name of (5S,6S)-4-benzyl-6-phenyl-5-(trifluoromethyl)morpholin-2-one (CID 135030058) is (5S,6S)-4-benzyl-6-phenyl-5-(trifluoromethyl)morpholin-2-one.
What is the SMILES notation for (5S,6S)-4-benzyl-6-phenyl-5-(trifluoromethyl)morpholin-2-one?
The canonical SMILES for (5S,6S)-4-benzyl-6-phenyl-5-(trifluoromethyl)morpholin-2-one is O=C1CN(Cc2ccccc2)[C@H](C(F)(F)F)[C@H](c2ccccc2)O1.
What is the InChIKey of (5S,6S)-4-benzyl-6-phenyl-5-(trifluoromethyl)morpholin-2-one?
The InChIKey is SJEFUWVTPOVKHS-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H16F3NO2/c19-18(20,21)17-16(14-9-5-2-6-10-14)24-15(23)12-22(17)11-13-7-3-1-4-8-13/h1-10,16-17H,11-12H2/t16-,17-/m0/s1.
What are the key properties of (5S,6S)-4-benzyl-6-phenyl-5-(trifluoromethyl)morpholin-2-one?
(5S,6S)-4-benzyl-6-phenyl-5-(trifluoromethyl)morpholin-2-one has a molecular weight of 335.32 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-4-benzyl-6-phenyl-5-(trifluoromethyl)morpholin-2-one is sourced from PubChem (CID 135030058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).