(2S)-2-ethoxy-1-[3-(2-fluorophenoxy)azetidin-1-yl]propan-1-one

C14H18FNO3 — CID 126438416

IUPAC(2S)-2-ethoxy-1-[3-(2-fluorophenoxy)azetidin-1-yl]propan-1-one
SMILESCCO[C@@H](C)C(=O)N1CC(Oc2ccccc2F)C1
InChIInChI=1S/C14H18FNO3/c1-3-18-10(2)14(17)16-8-11(9-16)19-13-7-5-4-6-12(13)15/h4-7,10-11H,3,8-9H2,1-2H3/t10-/m0/s1
InChIKeyZGSFAKJXIRNFIY-JTQLQIEISA-N
MW267.30 g/mol
LogP1.84
Rot. Bonds5

About (2S)-2-ethoxy-1-[3-(2-fluorophenoxy)azetidin-1-yl]propan-1-one

(2S)-2-ethoxy-1-[3-(2-fluorophenoxy)azetidin-1-yl]propan-1-one (PubChem CID 126438416) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is (2S)-2-ethoxy-1-[3-(2-fluorophenoxy)azetidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-ethoxy-1-[3-(2-fluorophenoxy)azetidin-1-yl]propan-1-one
PubChem CID126438416
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name(2S)-2-ethoxy-1-[3-(2-fluorophenoxy)azetidin-1-yl]propan-1-one
SMILESCCO[C@@H](C)C(=O)N1CC(Oc2ccccc2F)C1
InChIInChI=1S/C14H18FNO3/c1-3-18-10(2)14(17)16-8-11(9-16)19-13-7-5-4-6-12(13)15/h4-7,10-11H,3,8-9H2,1-2H3/t10-/m0/s1
InChIKeyZGSFAKJXIRNFIY-JTQLQIEISA-N
XLogP1.84
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethoxy-1-[3-(2-fluorophenoxy)azetidin-1-yl]propan-1-one?
The IUPAC name of (2S)-2-ethoxy-1-[3-(2-fluorophenoxy)azetidin-1-yl]propan-1-one (CID 126438416) is (2S)-2-ethoxy-1-[3-(2-fluorophenoxy)azetidin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-2-ethoxy-1-[3-(2-fluorophenoxy)azetidin-1-yl]propan-1-one?
The canonical SMILES for (2S)-2-ethoxy-1-[3-(2-fluorophenoxy)azetidin-1-yl]propan-1-one is CCO[C@@H](C)C(=O)N1CC(Oc2ccccc2F)C1.
What is the InChIKey of (2S)-2-ethoxy-1-[3-(2-fluorophenoxy)azetidin-1-yl]propan-1-one?
The InChIKey is ZGSFAKJXIRNFIY-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18FNO3/c1-3-18-10(2)14(17)16-8-11(9-16)19-13-7-5-4-6-12(13)15/h4-7,10-11H,3,8-9H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-2-ethoxy-1-[3-(2-fluorophenoxy)azetidin-1-yl]propan-1-one?
(2S)-2-ethoxy-1-[3-(2-fluorophenoxy)azetidin-1-yl]propan-1-one has a molecular weight of 267.30 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethoxy-1-[3-(2-fluorophenoxy)azetidin-1-yl]propan-1-one is sourced from PubChem (CID 126438416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).