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

C17H22FNO2 — CID 53008490

IUPACcyclohexyl-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CC(OCc2ccc(F)cc2)C1
InChIInChI=1S/C17H22FNO2/c18-15-8-6-13(7-9-15)12-21-16-10-19(11-16)17(20)14-4-2-1-3-5-14/h6-9,14,16H,1-5,10-12H2
InChIKeyRBYROSSVDAXBLO-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.13
Rot. Bonds4

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

cyclohexyl-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]methanone (PubChem CID 53008490) has the molecular formula C17H22FNO2 and a molecular weight of 291.37 g/mol. Its IUPAC name is cyclohexyl-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]methanone
PubChem CID53008490
Molecular FormulaC17H22FNO2
Molecular Weight291.37 g/mol
Exact Mass291.16
IUPAC Namecyclohexyl-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CC(OCc2ccc(F)cc2)C1
InChIInChI=1S/C17H22FNO2/c18-15-8-6-13(7-9-15)12-21-16-10-19(11-16)17(20)14-4-2-1-3-5-14/h6-9,14,16H,1-5,10-12H2
InChIKeyRBYROSSVDAXBLO-UHFFFAOYSA-N
XLogP3.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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

Analyze cyclohexyl-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]methanone (CID 53008490) is cyclohexyl-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]methanone is O=C(C1CCCCC1)N1CC(OCc2ccc(F)cc2)C1.
What is the InChIKey of cyclohexyl-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]methanone?
The InChIKey is RBYROSSVDAXBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO2/c18-15-8-6-13(7-9-15)12-21-16-10-19(11-16)17(20)14-4-2-1-3-5-14/h6-9,14,16H,1-5,10-12H2.
What are the key properties of cyclohexyl-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]methanone?
cyclohexyl-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]methanone has a molecular weight of 291.37 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]methanone is sourced from PubChem (CID 53008490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).