(4-fluorophenyl)-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]methanone

C17H15F2NO2 — CID 53008507

IUPAC(4-fluorophenyl)-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CC(OCc2cccc(F)c2)C1
InChIInChI=1S/C17H15F2NO2/c18-14-6-4-13(5-7-14)17(21)20-9-16(10-20)22-11-12-2-1-3-15(19)8-12/h1-8,16H,9-11H2
InChIKeyRSRRPNQGKIKOJP-UHFFFAOYSA-N
MW303.31 g/mol
LogP3.01
Rot. Bonds4

About (4-fluorophenyl)-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]methanone

(4-fluorophenyl)-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]methanone (PubChem CID 53008507) has the molecular formula C17H15F2NO2 and a molecular weight of 303.31 g/mol. Its IUPAC name is (4-fluorophenyl)-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]methanone
PubChem CID53008507
Molecular FormulaC17H15F2NO2
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Name(4-fluorophenyl)-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CC(OCc2cccc(F)c2)C1
InChIInChI=1S/C17H15F2NO2/c18-14-6-4-13(5-7-14)17(21)20-9-16(10-20)22-11-12-2-1-3-15(19)8-12/h1-8,16H,9-11H2
InChIKeyRSRRPNQGKIKOJP-UHFFFAOYSA-N
XLogP3.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]methanone (CID 53008507) is (4-fluorophenyl)-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]methanone is O=C(c1ccc(F)cc1)N1CC(OCc2cccc(F)c2)C1.
What is the InChIKey of (4-fluorophenyl)-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]methanone?
The InChIKey is RSRRPNQGKIKOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO2/c18-14-6-4-13(5-7-14)17(21)20-9-16(10-20)22-11-12-2-1-3-15(19)8-12/h1-8,16H,9-11H2.
What are the key properties of (4-fluorophenyl)-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]methanone?
(4-fluorophenyl)-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]methanone has a molecular weight of 303.31 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]methanone is sourced from PubChem (CID 53008507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).