(3R,4R)-3-amino-1-(4-fluorophenyl)-4-thiophen-2-ylazetidin-2-one

C13H11FN2OS — CID 124503336

IUPAC(3R,4R)-3-amino-1-(4-fluorophenyl)-4-thiophen-2-ylazetidin-2-one
SMILESN[C@H]1C(=O)N(c2ccc(F)cc2)[C@H]1c1cccs1
InChIInChI=1S/C13H11FN2OS/c14-8-3-5-9(6-4-8)16-12(11(15)13(16)17)10-2-1-7-18-10/h1-7,11-12H,15H2/t11-,12+/m1/s1
InChIKeyRRJYLPIQTIKPMO-NEPJUHHUSA-N
MW262.31 g/mol
LogP2.30
Rot. Bonds2

About (3R,4R)-3-amino-1-(4-fluorophenyl)-4-thiophen-2-ylazetidin-2-one

(3R,4R)-3-amino-1-(4-fluorophenyl)-4-thiophen-2-ylazetidin-2-one (PubChem CID 124503336) has the molecular formula C13H11FN2OS and a molecular weight of 262.31 g/mol. Its IUPAC name is (3R,4R)-3-amino-1-(4-fluorophenyl)-4-thiophen-2-ylazetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-3-amino-1-(4-fluorophenyl)-4-thiophen-2-ylazetidin-2-one
PubChem CID124503336
Molecular FormulaC13H11FN2OS
Molecular Weight262.31 g/mol
Exact Mass262.06
IUPAC Name(3R,4R)-3-amino-1-(4-fluorophenyl)-4-thiophen-2-ylazetidin-2-one
SMILESN[C@H]1C(=O)N(c2ccc(F)cc2)[C@H]1c1cccs1
InChIInChI=1S/C13H11FN2OS/c14-8-3-5-9(6-4-8)16-12(11(15)13(16)17)10-2-1-7-18-10/h1-7,11-12H,15H2/t11-,12+/m1/s1
InChIKeyRRJYLPIQTIKPMO-NEPJUHHUSA-N
XLogP2.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-amino-1-(4-fluorophenyl)-4-thiophen-2-ylazetidin-2-one?
The IUPAC name of (3R,4R)-3-amino-1-(4-fluorophenyl)-4-thiophen-2-ylazetidin-2-one (CID 124503336) is (3R,4R)-3-amino-1-(4-fluorophenyl)-4-thiophen-2-ylazetidin-2-one.
What is the SMILES notation for (3R,4R)-3-amino-1-(4-fluorophenyl)-4-thiophen-2-ylazetidin-2-one?
The canonical SMILES for (3R,4R)-3-amino-1-(4-fluorophenyl)-4-thiophen-2-ylazetidin-2-one is N[C@H]1C(=O)N(c2ccc(F)cc2)[C@H]1c1cccs1.
What is the InChIKey of (3R,4R)-3-amino-1-(4-fluorophenyl)-4-thiophen-2-ylazetidin-2-one?
The InChIKey is RRJYLPIQTIKPMO-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H11FN2OS/c14-8-3-5-9(6-4-8)16-12(11(15)13(16)17)10-2-1-7-18-10/h1-7,11-12H,15H2/t11-,12+/m1/s1.
What are the key properties of (3R,4R)-3-amino-1-(4-fluorophenyl)-4-thiophen-2-ylazetidin-2-one?
(3R,4R)-3-amino-1-(4-fluorophenyl)-4-thiophen-2-ylazetidin-2-one has a molecular weight of 262.31 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-amino-1-(4-fluorophenyl)-4-thiophen-2-ylazetidin-2-one is sourced from PubChem (CID 124503336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).