(2,6-difluorophenyl)-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]methanone

C17H14F3NO2 — CID 53008492

IUPAC(2,6-difluorophenyl)-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]methanone
SMILESO=C(c1c(F)cccc1F)N1CC(OCc2ccc(F)cc2)C1
InChIInChI=1S/C17H14F3NO2/c18-12-6-4-11(5-7-12)10-23-13-8-21(9-13)17(22)16-14(19)2-1-3-15(16)20/h1-7,13H,8-10H2
InChIKeyIVUXBVAWICJTQQ-UHFFFAOYSA-N
MW321.30 g/mol
LogP3.15
Rot. Bonds4

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

(2,6-difluorophenyl)-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]methanone (PubChem CID 53008492) has the molecular formula C17H14F3NO2 and a molecular weight of 321.30 g/mol. Its IUPAC name is (2,6-difluorophenyl)-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-difluorophenyl)-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]methanone
PubChem CID53008492
Molecular FormulaC17H14F3NO2
Molecular Weight321.30 g/mol
Exact Mass321.10
IUPAC Name(2,6-difluorophenyl)-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]methanone
SMILESO=C(c1c(F)cccc1F)N1CC(OCc2ccc(F)cc2)C1
InChIInChI=1S/C17H14F3NO2/c18-12-6-4-11(5-7-12)10-23-13-8-21(9-13)17(22)16-14(19)2-1-3-15(16)20/h1-7,13H,8-10H2
InChIKeyIVUXBVAWICJTQQ-UHFFFAOYSA-N
XLogP3.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]methanone?
The IUPAC name of (2,6-difluorophenyl)-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]methanone (CID 53008492) is (2,6-difluorophenyl)-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]methanone.
What is the SMILES notation for (2,6-difluorophenyl)-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]methanone?
The canonical SMILES for (2,6-difluorophenyl)-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]methanone is O=C(c1c(F)cccc1F)N1CC(OCc2ccc(F)cc2)C1.
What is the InChIKey of (2,6-difluorophenyl)-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]methanone?
The InChIKey is IVUXBVAWICJTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO2/c18-12-6-4-11(5-7-12)10-23-13-8-21(9-13)17(22)16-14(19)2-1-3-15(16)20/h1-7,13H,8-10H2.
What are the key properties of (2,6-difluorophenyl)-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]methanone?
(2,6-difluorophenyl)-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]methanone has a molecular weight of 321.30 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]methanone is sourced from PubChem (CID 53008492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).