(2R)-2-(2-chlorophenyl)-1-[3-(4-fluorophenoxy)azetidin-1-yl]-2-hydroxyethanone

C17H15ClFNO3 — CID 99955291

IUPAC(2R)-2-(2-chlorophenyl)-1-[3-(4-fluorophenoxy)azetidin-1-yl]-2-hydroxyethanone
SMILESO=C([C@H](O)c1ccccc1Cl)N1CC(Oc2ccc(F)cc2)C1
InChIInChI=1S/C17H15ClFNO3/c18-15-4-2-1-3-14(15)16(21)17(22)20-9-13(10-20)23-12-7-5-11(19)6-8-12/h1-8,13,16,21H,9-10H2/t16-/m1/s1
InChIKeyAWYGXWSOTHTXIK-MRXNPFEDSA-N
MW335.76 g/mol
LogP2.80
Rot. Bonds4

About (2R)-2-(2-chlorophenyl)-1-[3-(4-fluorophenoxy)azetidin-1-yl]-2-hydroxyethanone

(2R)-2-(2-chlorophenyl)-1-[3-(4-fluorophenoxy)azetidin-1-yl]-2-hydroxyethanone (PubChem CID 99955291) has the molecular formula C17H15ClFNO3 and a molecular weight of 335.76 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenyl)-1-[3-(4-fluorophenoxy)azetidin-1-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenyl)-1-[3-(4-fluorophenoxy)azetidin-1-yl]-2-hydroxyethanone
PubChem CID99955291
Molecular FormulaC17H15ClFNO3
Molecular Weight335.76 g/mol
Exact Mass335.07
IUPAC Name(2R)-2-(2-chlorophenyl)-1-[3-(4-fluorophenoxy)azetidin-1-yl]-2-hydroxyethanone
SMILESO=C([C@H](O)c1ccccc1Cl)N1CC(Oc2ccc(F)cc2)C1
InChIInChI=1S/C17H15ClFNO3/c18-15-4-2-1-3-14(15)16(21)17(22)20-9-13(10-20)23-12-7-5-11(19)6-8-12/h1-8,13,16,21H,9-10H2/t16-/m1/s1
InChIKeyAWYGXWSOTHTXIK-MRXNPFEDSA-N
XLogP2.80
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.76
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenyl)-1-[3-(4-fluorophenoxy)azetidin-1-yl]-2-hydroxyethanone?
The IUPAC name of (2R)-2-(2-chlorophenyl)-1-[3-(4-fluorophenoxy)azetidin-1-yl]-2-hydroxyethanone (CID 99955291) is (2R)-2-(2-chlorophenyl)-1-[3-(4-fluorophenoxy)azetidin-1-yl]-2-hydroxyethanone.
What is the SMILES notation for (2R)-2-(2-chlorophenyl)-1-[3-(4-fluorophenoxy)azetidin-1-yl]-2-hydroxyethanone?
The canonical SMILES for (2R)-2-(2-chlorophenyl)-1-[3-(4-fluorophenoxy)azetidin-1-yl]-2-hydroxyethanone is O=C([C@H](O)c1ccccc1Cl)N1CC(Oc2ccc(F)cc2)C1.
What is the InChIKey of (2R)-2-(2-chlorophenyl)-1-[3-(4-fluorophenoxy)azetidin-1-yl]-2-hydroxyethanone?
The InChIKey is AWYGXWSOTHTXIK-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H15ClFNO3/c18-15-4-2-1-3-14(15)16(21)17(22)20-9-13(10-20)23-12-7-5-11(19)6-8-12/h1-8,13,16,21H,9-10H2/t16-/m1/s1.
What are the key properties of (2R)-2-(2-chlorophenyl)-1-[3-(4-fluorophenoxy)azetidin-1-yl]-2-hydroxyethanone?
(2R)-2-(2-chlorophenyl)-1-[3-(4-fluorophenoxy)azetidin-1-yl]-2-hydroxyethanone has a molecular weight of 335.76 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chlorophenyl)-1-[3-(4-fluorophenoxy)azetidin-1-yl]-2-hydroxyethanone is sourced from PubChem (CID 99955291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).