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

C17H22FNO2 — CID 53034704

IUPACcyclohexyl-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CC(OCc2cccc(F)c2)C1
InChIInChI=1S/C17H22FNO2/c18-15-8-4-5-13(9-15)12-21-16-10-19(11-16)17(20)14-6-2-1-3-7-14/h4-5,8-9,14,16H,1-3,6-7,10-12H2
InChIKeyQPSWAZJVPLZZTL-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.13
Rot. Bonds4

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

cyclohexyl-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]methanone (PubChem CID 53034704) has the molecular formula C17H22FNO2 and a molecular weight of 291.37 g/mol. Its IUPAC name is cyclohexyl-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]methanone
PubChem CID53034704
Molecular FormulaC17H22FNO2
Molecular Weight291.37 g/mol
Exact Mass291.16
IUPAC Namecyclohexyl-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CC(OCc2cccc(F)c2)C1
InChIInChI=1S/C17H22FNO2/c18-15-8-4-5-13(9-15)12-21-16-10-19(11-16)17(20)14-6-2-1-3-7-14/h4-5,8-9,14,16H,1-3,6-7,10-12H2
InChIKeyQPSWAZJVPLZZTL-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

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]methanone (CID 53034704) is cyclohexyl-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]methanone is O=C(C1CCCCC1)N1CC(OCc2cccc(F)c2)C1.
What is the InChIKey of cyclohexyl-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]methanone?
The InChIKey is QPSWAZJVPLZZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO2/c18-15-8-4-5-13(9-15)12-21-16-10-19(11-16)17(20)14-6-2-1-3-7-14/h4-5,8-9,14,16H,1-3,6-7,10-12H2.
What are the key properties of cyclohexyl-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]methanone?
cyclohexyl-[3-[(3-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-[(3-fluorophenyl)methoxy]azetidin-1-yl]methanone is sourced from PubChem (CID 53034704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).