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

C16H20FNO2 — CID 53008508

IUPACcyclopentyl-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CC(OCc2cccc(F)c2)C1
InChIInChI=1S/C16H20FNO2/c17-14-7-3-4-12(8-14)11-20-15-9-18(10-15)16(19)13-5-1-2-6-13/h3-4,7-8,13,15H,1-2,5-6,9-11H2
InChIKeyMOVRCCKRFNZZQF-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.74
Rot. Bonds4

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

cyclopentyl-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]methanone (PubChem CID 53008508) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is cyclopentyl-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]methanone
PubChem CID53008508
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC Namecyclopentyl-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CC(OCc2cccc(F)c2)C1
InChIInChI=1S/C16H20FNO2/c17-14-7-3-4-12(8-14)11-20-15-9-18(10-15)16(19)13-5-1-2-6-13/h3-4,7-8,13,15H,1-2,5-6,9-11H2
InChIKeyMOVRCCKRFNZZQF-UHFFFAOYSA-N
XLogP2.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]methanone (CID 53008508) is cyclopentyl-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]methanone is O=C(C1CCCC1)N1CC(OCc2cccc(F)c2)C1.
What is the InChIKey of cyclopentyl-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]methanone?
The InChIKey is MOVRCCKRFNZZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO2/c17-14-7-3-4-12(8-14)11-20-15-9-18(10-15)16(19)13-5-1-2-6-13/h3-4,7-8,13,15H,1-2,5-6,9-11H2.
What are the key properties of cyclopentyl-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]methanone?
cyclopentyl-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]methanone has a molecular weight of 277.34 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]methanone is sourced from PubChem (CID 53008508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).