2-cyclopentyl-1-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]ethanone

C17H22FNO2 — CID 53008491

IUPAC2-cyclopentyl-1-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]ethanone
SMILESO=C(CC1CCCC1)N1CC(OCc2ccc(F)cc2)C1
InChIInChI=1S/C17H22FNO2/c18-15-7-5-14(6-8-15)12-21-16-10-19(11-16)17(20)9-13-3-1-2-4-13/h5-8,13,16H,1-4,9-12H2
InChIKeyIBHSQSXANJPFTK-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.13
Rot. Bonds5

About 2-cyclopentyl-1-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]ethanone

2-cyclopentyl-1-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]ethanone (PubChem CID 53008491) has the molecular formula C17H22FNO2 and a molecular weight of 291.37 g/mol. Its IUPAC name is 2-cyclopentyl-1-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]ethanone
PubChem CID53008491
Molecular FormulaC17H22FNO2
Molecular Weight291.37 g/mol
Exact Mass291.16
IUPAC Name2-cyclopentyl-1-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]ethanone
SMILESO=C(CC1CCCC1)N1CC(OCc2ccc(F)cc2)C1
InChIInChI=1S/C17H22FNO2/c18-15-7-5-14(6-8-15)12-21-16-10-19(11-16)17(20)9-13-3-1-2-4-13/h5-8,13,16H,1-4,9-12H2
InChIKeyIBHSQSXANJPFTK-UHFFFAOYSA-N
XLogP3.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]ethanone (CID 53008491) is 2-cyclopentyl-1-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]ethanone is O=C(CC1CCCC1)N1CC(OCc2ccc(F)cc2)C1.
What is the InChIKey of 2-cyclopentyl-1-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]ethanone?
The InChIKey is IBHSQSXANJPFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO2/c18-15-7-5-14(6-8-15)12-21-16-10-19(11-16)17(20)9-13-3-1-2-4-13/h5-8,13,16H,1-4,9-12H2.
What are the key properties of 2-cyclopentyl-1-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]ethanone?
2-cyclopentyl-1-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]ethanone has a molecular weight of 291.37 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]ethanone is sourced from PubChem (CID 53008491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).