(2R)-2-ethoxy-1-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]propan-1-one

C14H18FNO3 — CID 99801778

IUPAC(2R)-2-ethoxy-1-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]propan-1-one
SMILESCCO[C@H](C)C(=O)N1CC(O)(c2ccc(F)cc2)C1
InChIInChI=1S/C14H18FNO3/c1-3-19-10(2)13(17)16-8-14(18,9-16)11-4-6-12(15)7-5-11/h4-7,10,18H,3,8-9H2,1-2H3/t10-/m1/s1
InChIKeyKNZWBKYBCKXWFA-SNVBAGLBSA-N
MW267.30 g/mol
LogP1.28
Rot. Bonds4

About (2R)-2-ethoxy-1-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]propan-1-one

(2R)-2-ethoxy-1-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]propan-1-one (PubChem CID 99801778) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is (2R)-2-ethoxy-1-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-ethoxy-1-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]propan-1-one
PubChem CID99801778
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name(2R)-2-ethoxy-1-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]propan-1-one
SMILESCCO[C@H](C)C(=O)N1CC(O)(c2ccc(F)cc2)C1
InChIInChI=1S/C14H18FNO3/c1-3-19-10(2)13(17)16-8-14(18,9-16)11-4-6-12(15)7-5-11/h4-7,10,18H,3,8-9H2,1-2H3/t10-/m1/s1
InChIKeyKNZWBKYBCKXWFA-SNVBAGLBSA-N
XLogP1.28
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethoxy-1-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-ethoxy-1-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]propan-1-one (CID 99801778) is (2R)-2-ethoxy-1-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-ethoxy-1-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-ethoxy-1-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]propan-1-one is CCO[C@H](C)C(=O)N1CC(O)(c2ccc(F)cc2)C1.
What is the InChIKey of (2R)-2-ethoxy-1-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]propan-1-one?
The InChIKey is KNZWBKYBCKXWFA-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-3-19-10(2)13(17)16-8-14(18,9-16)11-4-6-12(15)7-5-11/h4-7,10,18H,3,8-9H2,1-2H3/t10-/m1/s1.
What are the key properties of (2R)-2-ethoxy-1-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]propan-1-one?
(2R)-2-ethoxy-1-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]propan-1-one has a molecular weight of 267.30 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethoxy-1-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]propan-1-one is sourced from PubChem (CID 99801778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).