2-(2-fluorophenyl)-1-[3-[4-(phenoxymethyl)triazol-1-yl]azetidin-1-yl]ethanone

C20H19FN4O2 — CID 87052277

IUPAC2-(2-fluorophenyl)-1-[3-[4-(phenoxymethyl)triazol-1-yl]azetidin-1-yl]ethanone
SMILESO=C(Cc1ccccc1F)N1CC(n2cc(COc3ccccc3)nn2)C1
InChIInChI=1S/C20H19FN4O2/c21-19-9-5-4-6-15(19)10-20(26)24-12-17(13-24)25-11-16(22-23-25)14-27-18-7-2-1-3-8-18/h1-9,11,17H,10,12-14H2
InChIKeyODKPFMWOXZRPNX-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.62
Rot. Bonds6

About 2-(2-fluorophenyl)-1-[3-[4-(phenoxymethyl)triazol-1-yl]azetidin-1-yl]ethanone

2-(2-fluorophenyl)-1-[3-[4-(phenoxymethyl)triazol-1-yl]azetidin-1-yl]ethanone (PubChem CID 87052277) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-[3-[4-(phenoxymethyl)triazol-1-yl]azetidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-[3-[4-(phenoxymethyl)triazol-1-yl]azetidin-1-yl]ethanone
PubChem CID87052277
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name2-(2-fluorophenyl)-1-[3-[4-(phenoxymethyl)triazol-1-yl]azetidin-1-yl]ethanone
SMILESO=C(Cc1ccccc1F)N1CC(n2cc(COc3ccccc3)nn2)C1
InChIInChI=1S/C20H19FN4O2/c21-19-9-5-4-6-15(19)10-20(26)24-12-17(13-24)25-11-16(22-23-25)14-27-18-7-2-1-3-8-18/h1-9,11,17H,10,12-14H2
InChIKeyODKPFMWOXZRPNX-UHFFFAOYSA-N
XLogP2.62
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-[3-[4-(phenoxymethyl)triazol-1-yl]azetidin-1-yl]ethanone?
The IUPAC name of 2-(2-fluorophenyl)-1-[3-[4-(phenoxymethyl)triazol-1-yl]azetidin-1-yl]ethanone (CID 87052277) is 2-(2-fluorophenyl)-1-[3-[4-(phenoxymethyl)triazol-1-yl]azetidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)-1-[3-[4-(phenoxymethyl)triazol-1-yl]azetidin-1-yl]ethanone?
The canonical SMILES for 2-(2-fluorophenyl)-1-[3-[4-(phenoxymethyl)triazol-1-yl]azetidin-1-yl]ethanone is O=C(Cc1ccccc1F)N1CC(n2cc(COc3ccccc3)nn2)C1.
What is the InChIKey of 2-(2-fluorophenyl)-1-[3-[4-(phenoxymethyl)triazol-1-yl]azetidin-1-yl]ethanone?
The InChIKey is ODKPFMWOXZRPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c21-19-9-5-4-6-15(19)10-20(26)24-12-17(13-24)25-11-16(22-23-25)14-27-18-7-2-1-3-8-18/h1-9,11,17H,10,12-14H2.
What are the key properties of 2-(2-fluorophenyl)-1-[3-[4-(phenoxymethyl)triazol-1-yl]azetidin-1-yl]ethanone?
2-(2-fluorophenyl)-1-[3-[4-(phenoxymethyl)triazol-1-yl]azetidin-1-yl]ethanone has a molecular weight of 366.40 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-[3-[4-(phenoxymethyl)triazol-1-yl]azetidin-1-yl]ethanone is sourced from PubChem (CID 87052277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).