(3R,4S)-4-(4-fluorophenyl)-3-hydroxy-1-(1-phenylethyl)azetidin-2-one

C17H16FNO2 — CID 67583016

IUPAC(3R,4S)-4-(4-fluorophenyl)-3-hydroxy-1-(1-phenylethyl)azetidin-2-one
SMILESCC(c1ccccc1)N1C(=O)[C@H](O)[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C17H16FNO2/c1-11(12-5-3-2-4-6-12)19-15(16(20)17(19)21)13-7-9-14(18)10-8-13/h2-11,15-16,20H,1H3/t11?,15-,16+/m0/s1
InChIKeyXXNQIMMHSPDWLY-JNMIHDSVSA-N
MW285.32 g/mol
LogP2.83
Rot. Bonds3

About (3R,4S)-4-(4-fluorophenyl)-3-hydroxy-1-(1-phenylethyl)azetidin-2-one

(3R,4S)-4-(4-fluorophenyl)-3-hydroxy-1-(1-phenylethyl)azetidin-2-one (PubChem CID 67583016) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is (3R,4S)-4-(4-fluorophenyl)-3-hydroxy-1-(1-phenylethyl)azetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-4-(4-fluorophenyl)-3-hydroxy-1-(1-phenylethyl)azetidin-2-one
PubChem CID67583016
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name(3R,4S)-4-(4-fluorophenyl)-3-hydroxy-1-(1-phenylethyl)azetidin-2-one
SMILESCC(c1ccccc1)N1C(=O)[C@H](O)[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C17H16FNO2/c1-11(12-5-3-2-4-6-12)19-15(16(20)17(19)21)13-7-9-14(18)10-8-13/h2-11,15-16,20H,1H3/t11?,15-,16+/m0/s1
InChIKeyXXNQIMMHSPDWLY-JNMIHDSVSA-N
XLogP2.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(4-fluorophenyl)-3-hydroxy-1-(1-phenylethyl)azetidin-2-one?
The IUPAC name of (3R,4S)-4-(4-fluorophenyl)-3-hydroxy-1-(1-phenylethyl)azetidin-2-one (CID 67583016) is (3R,4S)-4-(4-fluorophenyl)-3-hydroxy-1-(1-phenylethyl)azetidin-2-one.
What is the SMILES notation for (3R,4S)-4-(4-fluorophenyl)-3-hydroxy-1-(1-phenylethyl)azetidin-2-one?
The canonical SMILES for (3R,4S)-4-(4-fluorophenyl)-3-hydroxy-1-(1-phenylethyl)azetidin-2-one is CC(c1ccccc1)N1C(=O)[C@H](O)[C@@H]1c1ccc(F)cc1.
What is the InChIKey of (3R,4S)-4-(4-fluorophenyl)-3-hydroxy-1-(1-phenylethyl)azetidin-2-one?
The InChIKey is XXNQIMMHSPDWLY-JNMIHDSVSA-N. The full InChI is InChI=1S/C17H16FNO2/c1-11(12-5-3-2-4-6-12)19-15(16(20)17(19)21)13-7-9-14(18)10-8-13/h2-11,15-16,20H,1H3/t11?,15-,16+/m0/s1.
What are the key properties of (3R,4S)-4-(4-fluorophenyl)-3-hydroxy-1-(1-phenylethyl)azetidin-2-one?
(3R,4S)-4-(4-fluorophenyl)-3-hydroxy-1-(1-phenylethyl)azetidin-2-one has a molecular weight of 285.32 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(4-fluorophenyl)-3-hydroxy-1-(1-phenylethyl)azetidin-2-one is sourced from PubChem (CID 67583016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).