[3-[(2-chloro-4-fluorophenyl)methoxy]azetidin-1-yl]-cyclohexylmethanone

C17H21ClFNO2 — CID 53008516

IUPAC[3-[(2-chloro-4-fluorophenyl)methoxy]azetidin-1-yl]-cyclohexylmethanone
SMILESO=C(C1CCCCC1)N1CC(OCc2ccc(F)cc2Cl)C1
InChIInChI=1S/C17H21ClFNO2/c18-16-8-14(19)7-6-13(16)11-22-15-9-20(10-15)17(21)12-4-2-1-3-5-12/h6-8,12,15H,1-5,9-11H2
InChIKeyGJAUHWFDFWGTSI-UHFFFAOYSA-N
MW325.81 g/mol
LogP3.79
Rot. Bonds4

About [3-[(2-chloro-4-fluorophenyl)methoxy]azetidin-1-yl]-cyclohexylmethanone

[3-[(2-chloro-4-fluorophenyl)methoxy]azetidin-1-yl]-cyclohexylmethanone (PubChem CID 53008516) has the molecular formula C17H21ClFNO2 and a molecular weight of 325.81 g/mol. Its IUPAC name is [3-[(2-chloro-4-fluorophenyl)methoxy]azetidin-1-yl]-cyclohexylmethanone.

Molecular Properties

Compound Name[3-[(2-chloro-4-fluorophenyl)methoxy]azetidin-1-yl]-cyclohexylmethanone
PubChem CID53008516
Molecular FormulaC17H21ClFNO2
Molecular Weight325.81 g/mol
Exact Mass325.12
IUPAC Name[3-[(2-chloro-4-fluorophenyl)methoxy]azetidin-1-yl]-cyclohexylmethanone
SMILESO=C(C1CCCCC1)N1CC(OCc2ccc(F)cc2Cl)C1
InChIInChI=1S/C17H21ClFNO2/c18-16-8-14(19)7-6-13(16)11-22-15-9-20(10-15)17(21)12-4-2-1-3-5-12/h6-8,12,15H,1-5,9-11H2
InChIKeyGJAUHWFDFWGTSI-UHFFFAOYSA-N
XLogP3.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.81
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-[(2-chloro-4-fluorophenyl)methoxy]azetidin-1-yl]-cyclohexylmethanone?
The IUPAC name of [3-[(2-chloro-4-fluorophenyl)methoxy]azetidin-1-yl]-cyclohexylmethanone (CID 53008516) is [3-[(2-chloro-4-fluorophenyl)methoxy]azetidin-1-yl]-cyclohexylmethanone.
What is the SMILES notation for [3-[(2-chloro-4-fluorophenyl)methoxy]azetidin-1-yl]-cyclohexylmethanone?
The canonical SMILES for [3-[(2-chloro-4-fluorophenyl)methoxy]azetidin-1-yl]-cyclohexylmethanone is O=C(C1CCCCC1)N1CC(OCc2ccc(F)cc2Cl)C1.
What is the InChIKey of [3-[(2-chloro-4-fluorophenyl)methoxy]azetidin-1-yl]-cyclohexylmethanone?
The InChIKey is GJAUHWFDFWGTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClFNO2/c18-16-8-14(19)7-6-13(16)11-22-15-9-20(10-15)17(21)12-4-2-1-3-5-12/h6-8,12,15H,1-5,9-11H2.
What are the key properties of [3-[(2-chloro-4-fluorophenyl)methoxy]azetidin-1-yl]-cyclohexylmethanone?
[3-[(2-chloro-4-fluorophenyl)methoxy]azetidin-1-yl]-cyclohexylmethanone has a molecular weight of 325.81 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-chloro-4-fluorophenyl)methoxy]azetidin-1-yl]-cyclohexylmethanone is sourced from PubChem (CID 53008516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).