1-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]butan-1-one

C14H18FNO2 — CID 53034698

IUPAC1-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CC(OCc2ccccc2F)C1
InChIInChI=1S/C14H18FNO2/c1-2-5-14(17)16-8-12(9-16)18-10-11-6-3-4-7-13(11)15/h3-4,6-7,12H,2,5,8-10H2,1H3
InChIKeyJUSJGUAGSCXXLH-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.35
Rot. Bonds5

About 1-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]butan-1-one

1-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]butan-1-one (PubChem CID 53034698) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 1-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]butan-1-one
PubChem CID53034698
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name1-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CC(OCc2ccccc2F)C1
InChIInChI=1S/C14H18FNO2/c1-2-5-14(17)16-8-12(9-16)18-10-11-6-3-4-7-13(11)15/h3-4,6-7,12H,2,5,8-10H2,1H3
InChIKeyJUSJGUAGSCXXLH-UHFFFAOYSA-N
XLogP2.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]butan-1-one?
The IUPAC name of 1-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]butan-1-one (CID 53034698) is 1-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]butan-1-one?
The canonical SMILES for 1-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]butan-1-one is CCCC(=O)N1CC(OCc2ccccc2F)C1.
What is the InChIKey of 1-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]butan-1-one?
The InChIKey is JUSJGUAGSCXXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-2-5-14(17)16-8-12(9-16)18-10-11-6-3-4-7-13(11)15/h3-4,6-7,12H,2,5,8-10H2,1H3.
What are the key properties of 1-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]butan-1-one?
1-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]butan-1-one has a molecular weight of 251.30 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]butan-1-one is sourced from PubChem (CID 53034698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).