(2,6-difluorophenyl)-[3-[4-(phenoxymethyl)triazol-1-yl]azetidin-1-yl]methanone

C19H16F2N4O2 — CID 91629925

IUPAC(2,6-difluorophenyl)-[3-[4-(phenoxymethyl)triazol-1-yl]azetidin-1-yl]methanone
SMILESO=C(c1c(F)cccc1F)N1CC(n2cc(COc3ccccc3)nn2)C1
InChIInChI=1S/C19H16F2N4O2/c20-16-7-4-8-17(21)18(16)19(26)24-10-14(11-24)25-9-13(22-23-25)12-27-15-5-2-1-3-6-15/h1-9,14H,10-12H2
InChIKeyPDHSNRUFOCSYLT-UHFFFAOYSA-N
MW370.36 g/mol
LogP2.83
Rot. Bonds5

About (2,6-difluorophenyl)-[3-[4-(phenoxymethyl)triazol-1-yl]azetidin-1-yl]methanone

(2,6-difluorophenyl)-[3-[4-(phenoxymethyl)triazol-1-yl]azetidin-1-yl]methanone (PubChem CID 91629925) has the molecular formula C19H16F2N4O2 and a molecular weight of 370.36 g/mol. Its IUPAC name is (2,6-difluorophenyl)-[3-[4-(phenoxymethyl)triazol-1-yl]azetidin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-difluorophenyl)-[3-[4-(phenoxymethyl)triazol-1-yl]azetidin-1-yl]methanone
PubChem CID91629925
Molecular FormulaC19H16F2N4O2
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC Name(2,6-difluorophenyl)-[3-[4-(phenoxymethyl)triazol-1-yl]azetidin-1-yl]methanone
SMILESO=C(c1c(F)cccc1F)N1CC(n2cc(COc3ccccc3)nn2)C1
InChIInChI=1S/C19H16F2N4O2/c20-16-7-4-8-17(21)18(16)19(26)24-10-14(11-24)25-9-13(22-23-25)12-27-15-5-2-1-3-6-15/h1-9,14H,10-12H2
InChIKeyPDHSNRUFOCSYLT-UHFFFAOYSA-N
XLogP2.83
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-[3-[4-(phenoxymethyl)triazol-1-yl]azetidin-1-yl]methanone?
The IUPAC name of (2,6-difluorophenyl)-[3-[4-(phenoxymethyl)triazol-1-yl]azetidin-1-yl]methanone (CID 91629925) is (2,6-difluorophenyl)-[3-[4-(phenoxymethyl)triazol-1-yl]azetidin-1-yl]methanone.
What is the SMILES notation for (2,6-difluorophenyl)-[3-[4-(phenoxymethyl)triazol-1-yl]azetidin-1-yl]methanone?
The canonical SMILES for (2,6-difluorophenyl)-[3-[4-(phenoxymethyl)triazol-1-yl]azetidin-1-yl]methanone is O=C(c1c(F)cccc1F)N1CC(n2cc(COc3ccccc3)nn2)C1.
What is the InChIKey of (2,6-difluorophenyl)-[3-[4-(phenoxymethyl)triazol-1-yl]azetidin-1-yl]methanone?
The InChIKey is PDHSNRUFOCSYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O2/c20-16-7-4-8-17(21)18(16)19(26)24-10-14(11-24)25-9-13(22-23-25)12-27-15-5-2-1-3-6-15/h1-9,14H,10-12H2.
What are the key properties of (2,6-difluorophenyl)-[3-[4-(phenoxymethyl)triazol-1-yl]azetidin-1-yl]methanone?
(2,6-difluorophenyl)-[3-[4-(phenoxymethyl)triazol-1-yl]azetidin-1-yl]methanone has a molecular weight of 370.36 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-[3-[4-(phenoxymethyl)triazol-1-yl]azetidin-1-yl]methanone is sourced from PubChem (CID 91629925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).