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

C18H16F3NO2 — CID 67583704

IUPAC(3R,4S)-3-hydroxy-1-(1-phenylethyl)-4-[4-(trifluoromethyl)phenyl]azetidin-2-one
SMILESCC(c1ccccc1)N1C(=O)[C@H](O)[C@@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H16F3NO2/c1-11(12-5-3-2-4-6-12)22-15(16(23)17(22)24)13-7-9-14(10-8-13)18(19,20)21/h2-11,15-16,23H,1H3/t11?,15-,16+/m0/s1
InChIKeyZBEYJTIXAMTXBJ-JNMIHDSVSA-N
MW335.33 g/mol
LogP3.71
Rot. Bonds3

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

(3R,4S)-3-hydroxy-1-(1-phenylethyl)-4-[4-(trifluoromethyl)phenyl]azetidin-2-one (PubChem CID 67583704) has the molecular formula C18H16F3NO2 and a molecular weight of 335.33 g/mol. Its IUPAC name is (3R,4S)-3-hydroxy-1-(1-phenylethyl)-4-[4-(trifluoromethyl)phenyl]azetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-hydroxy-1-(1-phenylethyl)-4-[4-(trifluoromethyl)phenyl]azetidin-2-one
PubChem CID67583704
Molecular FormulaC18H16F3NO2
Molecular Weight335.33 g/mol
Exact Mass335.11
IUPAC Name(3R,4S)-3-hydroxy-1-(1-phenylethyl)-4-[4-(trifluoromethyl)phenyl]azetidin-2-one
SMILESCC(c1ccccc1)N1C(=O)[C@H](O)[C@@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H16F3NO2/c1-11(12-5-3-2-4-6-12)22-15(16(23)17(22)24)13-7-9-14(10-8-13)18(19,20)21/h2-11,15-16,23H,1H3/t11?,15-,16+/m0/s1
InChIKeyZBEYJTIXAMTXBJ-JNMIHDSVSA-N
XLogP3.71
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-hydroxy-1-(1-phenylethyl)-4-[4-(trifluoromethyl)phenyl]azetidin-2-one?
The IUPAC name of (3R,4S)-3-hydroxy-1-(1-phenylethyl)-4-[4-(trifluoromethyl)phenyl]azetidin-2-one (CID 67583704) is (3R,4S)-3-hydroxy-1-(1-phenylethyl)-4-[4-(trifluoromethyl)phenyl]azetidin-2-one.
What is the SMILES notation for (3R,4S)-3-hydroxy-1-(1-phenylethyl)-4-[4-(trifluoromethyl)phenyl]azetidin-2-one?
The canonical SMILES for (3R,4S)-3-hydroxy-1-(1-phenylethyl)-4-[4-(trifluoromethyl)phenyl]azetidin-2-one is CC(c1ccccc1)N1C(=O)[C@H](O)[C@@H]1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (3R,4S)-3-hydroxy-1-(1-phenylethyl)-4-[4-(trifluoromethyl)phenyl]azetidin-2-one?
The InChIKey is ZBEYJTIXAMTXBJ-JNMIHDSVSA-N. The full InChI is InChI=1S/C18H16F3NO2/c1-11(12-5-3-2-4-6-12)22-15(16(23)17(22)24)13-7-9-14(10-8-13)18(19,20)21/h2-11,15-16,23H,1H3/t11?,15-,16+/m0/s1.
What are the key properties of (3R,4S)-3-hydroxy-1-(1-phenylethyl)-4-[4-(trifluoromethyl)phenyl]azetidin-2-one?
(3R,4S)-3-hydroxy-1-(1-phenylethyl)-4-[4-(trifluoromethyl)phenyl]azetidin-2-one has a molecular weight of 335.33 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-hydroxy-1-(1-phenylethyl)-4-[4-(trifluoromethyl)phenyl]azetidin-2-one is sourced from PubChem (CID 67583704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).