(3R,4R)-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one

C19H18F3NO2 — CID 10521752

IUPAC(3R,4R)-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one
SMILESC[C@@H](c1ccccc1)N1C(=O)[C@H](OCc2ccccc2)[C@@H]1C(F)(F)F
InChIInChI=1S/C19H18F3NO2/c1-13(15-10-6-3-7-11-15)23-17(19(20,21)22)16(18(23)24)25-12-14-8-4-2-5-9-14/h2-11,13,16-17H,12H2,1H3/t13-,16+,17+/m0/s1
InChIKeySWKYIIMKBYGNGS-IAOVAPTHSA-N
MW349.35 g/mol
LogP4.11
Rot. Bonds5

About (3R,4R)-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one

(3R,4R)-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one (PubChem CID 10521752) has the molecular formula C19H18F3NO2 and a molecular weight of 349.35 g/mol. Its IUPAC name is (3R,4R)-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one
PubChem CID10521752
Molecular FormulaC19H18F3NO2
Molecular Weight349.35 g/mol
Exact Mass349.13
IUPAC Name(3R,4R)-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one
SMILESC[C@@H](c1ccccc1)N1C(=O)[C@H](OCc2ccccc2)[C@@H]1C(F)(F)F
InChIInChI=1S/C19H18F3NO2/c1-13(15-10-6-3-7-11-15)23-17(19(20,21)22)16(18(23)24)25-12-14-8-4-2-5-9-14/h2-11,13,16-17H,12H2,1H3/t13-,16+,17+/m0/s1
InChIKeySWKYIIMKBYGNGS-IAOVAPTHSA-N
XLogP4.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4R)-3-methyl-1-[(1R)-1-phenylethyl]-4-(trifluoromethyl)azetidin-2-one
CID 162539166
[(2R)-2-[(2R,3S)-4-oxo-1-[(1S)-1-phenylethyl]-3-phenylmethoxyazetidin-2-yl]-2-phenylmethoxyethyl] 2-phenylmethoxyacetate
CID 15386262
(3S,6S)-3,6-dibenzyl-1,4-bis[(1S)-1-phenylethyl]piperazine-2,5-dione
CID 11730822
(6S)-1-[(1S)-1-phenylethyl]-6-(3-phenylmethoxypropyl)piperidin-2-one
CID 16658207
(3S,4R)-1-benzyl-4-(1-bromo-2-methylpropan-2-yl)-3-phenylmethoxyazetidin-2-one
CID 102175178
(3R,4S)-4-(1-hydroxyethyl)-3-phenylmethoxyazetidin-2-one
CID 11775681
2-[(3R,4R)-2-oxo-1-[(1R)-1-phenylethyl]-4-(phenylmethoxymethyl)pyrrolidin-3-yl]acetonitrile
CID 163394278
(3R,4S)-4-tert-butyl-3-phenylmethoxyazetidin-2-one
CID 20735664
4-(1,2-diphenylethyl)-3-phenylmethoxyazetidin-2-one
CID 56983411
benzyl (5S,6S)-5-benzyl-6-ethyl-4-oxo-3-[(1S)-1-phenylethyl]-1,3-diazinane-1-carboxylate
CID 10344050
(3R,4R,5R)-1-benzyl-5-hydroxy-3,4-bis(phenylmethoxy)-5-(trifluoromethyl)pyrrolidin-2-one
CID 139095353
methyl 2-[5-oxo-1-[(1R)-1-phenylethyl]pyrrolidin-2-yl]acetate
CID 70631589

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one?
The IUPAC name of (3R,4R)-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one (CID 10521752) is (3R,4R)-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one.
What is the SMILES notation for (3R,4R)-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one?
The canonical SMILES for (3R,4R)-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one is C[C@@H](c1ccccc1)N1C(=O)[C@H](OCc2ccccc2)[C@@H]1C(F)(F)F.
What is the InChIKey of (3R,4R)-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one?
The InChIKey is SWKYIIMKBYGNGS-IAOVAPTHSA-N. The full InChI is InChI=1S/C19H18F3NO2/c1-13(15-10-6-3-7-11-15)23-17(19(20,21)22)16(18(23)24)25-12-14-8-4-2-5-9-14/h2-11,13,16-17H,12H2,1H3/t13-,16+,17+/m0/s1.
What are the key properties of (3R,4R)-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one?
(3R,4R)-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one has a molecular weight of 349.35 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one is sourced from PubChem (CID 10521752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).