(3R,4S)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-(4-phosphanyloxyphenyl)azetidin-2-one

C24H20F2NO3P — CID 59660561

IUPAC(3R,4S)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-(4-phosphanyloxyphenyl)azetidin-2-one
SMILESO=C(CC[C@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(OP)cc1)c1ccc(F)cc1
InChIInChI=1S/C24H20F2NO3P/c25-17-5-1-15(2-6-17)22(28)14-13-21-23(16-3-11-20(30-31)12-4-16)27(24(21)29)19-9-7-18(26)8-10-19/h1-12,21,23H,13-14,31H2/t21-,23-/m1/s1
InChIKeyPUBNDVVJYFVREF-FYYLOGMGSA-N
MW439.40 g/mol
LogP5.50
Rot. Bonds7

About (3R,4S)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-(4-phosphanyloxyphenyl)azetidin-2-one

(3R,4S)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-(4-phosphanyloxyphenyl)azetidin-2-one (PubChem CID 59660561) has the molecular formula C24H20F2NO3P and a molecular weight of 439.40 g/mol. Its IUPAC name is (3R,4S)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-(4-phosphanyloxyphenyl)azetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-(4-phosphanyloxyphenyl)azetidin-2-one
PubChem CID59660561
Molecular FormulaC24H20F2NO3P
Molecular Weight439.40 g/mol
Exact Mass439.11
IUPAC Name(3R,4S)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-(4-phosphanyloxyphenyl)azetidin-2-one
SMILESO=C(CC[C@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(OP)cc1)c1ccc(F)cc1
InChIInChI=1S/C24H20F2NO3P/c25-17-5-1-15(2-6-17)22(28)14-13-21-23(16-3-11-20(30-31)12-4-16)27(24(21)29)19-9-7-18(26)8-10-19/h1-12,21,23H,13-14,31H2/t21-,23-/m1/s1
InChIKeyPUBNDVVJYFVREF-FYYLOGMGSA-N
XLogP5.50
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.40
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-(4-phosphanyloxyphenyl)azetidin-2-one?
The IUPAC name of (3R,4S)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-(4-phosphanyloxyphenyl)azetidin-2-one (CID 59660561) is (3R,4S)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-(4-phosphanyloxyphenyl)azetidin-2-one.
What is the SMILES notation for (3R,4S)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-(4-phosphanyloxyphenyl)azetidin-2-one?
The canonical SMILES for (3R,4S)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-(4-phosphanyloxyphenyl)azetidin-2-one is O=C(CC[C@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(OP)cc1)c1ccc(F)cc1.
What is the InChIKey of (3R,4S)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-(4-phosphanyloxyphenyl)azetidin-2-one?
The InChIKey is PUBNDVVJYFVREF-FYYLOGMGSA-N. The full InChI is InChI=1S/C24H20F2NO3P/c25-17-5-1-15(2-6-17)22(28)14-13-21-23(16-3-11-20(30-31)12-4-16)27(24(21)29)19-9-7-18(26)8-10-19/h1-12,21,23H,13-14,31H2/t21-,23-/m1/s1.
What are the key properties of (3R,4S)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-(4-phosphanyloxyphenyl)azetidin-2-one?
(3R,4S)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-(4-phosphanyloxyphenyl)azetidin-2-one has a molecular weight of 439.40 g/mol, XLogP of 5.50, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-(4-phosphanyloxyphenyl)azetidin-2-one is sourced from PubChem (CID 59660561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).