(4R)-1-[(1R)-2-hydroxy-1-phenylethyl]-4-(trifluoromethyl)azetidin-2-one

C12H12F3NO2 — CID 11514431

IUPAC(4R)-1-[(1R)-2-hydroxy-1-phenylethyl]-4-(trifluoromethyl)azetidin-2-one
SMILESO=C1C[C@H](C(F)(F)F)N1[C@@H](CO)c1ccccc1
InChIInChI=1S/C12H12F3NO2/c13-12(14,15)10-6-11(18)16(10)9(7-17)8-4-2-1-3-5-8/h1-5,9-10,17H,6-7H2/t9-,10+/m0/s1
InChIKeyNSSHJYRYTQDWGU-VHSXEESVSA-N
MW259.23 g/mol
LogP1.88
Rot. Bonds3

About (4R)-1-[(1R)-2-hydroxy-1-phenylethyl]-4-(trifluoromethyl)azetidin-2-one

(4R)-1-[(1R)-2-hydroxy-1-phenylethyl]-4-(trifluoromethyl)azetidin-2-one (PubChem CID 11514431) has the molecular formula C12H12F3NO2 and a molecular weight of 259.23 g/mol. Its IUPAC name is (4R)-1-[(1R)-2-hydroxy-1-phenylethyl]-4-(trifluoromethyl)azetidin-2-one.

Molecular Properties

Compound Name(4R)-1-[(1R)-2-hydroxy-1-phenylethyl]-4-(trifluoromethyl)azetidin-2-one
PubChem CID11514431
Molecular FormulaC12H12F3NO2
Molecular Weight259.23 g/mol
Exact Mass259.08
IUPAC Name(4R)-1-[(1R)-2-hydroxy-1-phenylethyl]-4-(trifluoromethyl)azetidin-2-one
SMILESO=C1C[C@H](C(F)(F)F)N1[C@@H](CO)c1ccccc1
InChIInChI=1S/C12H12F3NO2/c13-12(14,15)10-6-11(18)16(10)9(7-17)8-4-2-1-3-5-8/h1-5,9-10,17H,6-7H2/t9-,10+/m0/s1
InChIKeyNSSHJYRYTQDWGU-VHSXEESVSA-N
XLogP1.88
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4S)-3-Hydroxy-4-phenyl-2-azetidinone
CID 10219589
4-[(1S)-2-hydroxy-1-phenylethyl]-1-methyl-1,4-diazepan-5-one
CID 24793750
N-(2-hydroxy-1-phenylethyl)-N,2,2-trimethylbutanamide
CID 121446752
(4S)-3,3-difluoro-1-[(1R)-2-hydroxy-1-phenylethyl]-4-phenylazetidin-2-one
CID 10638141
(2R,3S)-1-[(1R)-2-methoxy-1-phenylethyl]-2-(trifluoromethyl)azetidin-3-ol
CID 11369385
(4R)-5,5,5-trifluoro-4-[[(1R)-2-hydroxy-1-phenylethyl]amino]pentan-2-one
CID 24950981
(4S)-3,3-difluoro-1-[(1S)-2-hydroxy-1-phenylethyl]-4-phenylazetidin-2-one
CID 102156829
(4S)-3,3-difluoro-1-[(2S)-1-hydroxybutan-2-yl]-4-phenylazetidin-2-one
CID 134920613
(6R)-1-[(1R)-2-hydroxy-1-phenylethyl]-6-methylpiperidin-2-one
CID 10889819
Cis-3-hydroxy-4-phenylazetidin-2-one
CID 10219588
3-Hydroxy-4-phenylazetidin-2-one
CID 14807868
3-[[1-(3-Fluorophenyl)-2-hydroxyethyl]-methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 75370680

Frequently Asked Questions

What is the IUPAC name of (4R)-1-[(1R)-2-hydroxy-1-phenylethyl]-4-(trifluoromethyl)azetidin-2-one?
The IUPAC name of (4R)-1-[(1R)-2-hydroxy-1-phenylethyl]-4-(trifluoromethyl)azetidin-2-one (CID 11514431) is (4R)-1-[(1R)-2-hydroxy-1-phenylethyl]-4-(trifluoromethyl)azetidin-2-one.
What is the SMILES notation for (4R)-1-[(1R)-2-hydroxy-1-phenylethyl]-4-(trifluoromethyl)azetidin-2-one?
The canonical SMILES for (4R)-1-[(1R)-2-hydroxy-1-phenylethyl]-4-(trifluoromethyl)azetidin-2-one is O=C1C[C@H](C(F)(F)F)N1[C@@H](CO)c1ccccc1.
What is the InChIKey of (4R)-1-[(1R)-2-hydroxy-1-phenylethyl]-4-(trifluoromethyl)azetidin-2-one?
The InChIKey is NSSHJYRYTQDWGU-VHSXEESVSA-N. The full InChI is InChI=1S/C12H12F3NO2/c13-12(14,15)10-6-11(18)16(10)9(7-17)8-4-2-1-3-5-8/h1-5,9-10,17H,6-7H2/t9-,10+/m0/s1.
What are the key properties of (4R)-1-[(1R)-2-hydroxy-1-phenylethyl]-4-(trifluoromethyl)azetidin-2-one?
(4R)-1-[(1R)-2-hydroxy-1-phenylethyl]-4-(trifluoromethyl)azetidin-2-one has a molecular weight of 259.23 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-[(1R)-2-hydroxy-1-phenylethyl]-4-(trifluoromethyl)azetidin-2-one is sourced from PubChem (CID 11514431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).