3-[2-(4-chloro-3-fluorophenyl)-2-(2-methylphenoxy)ethyl]azetidine

C18H19ClFNO — CID 118706542

IUPAC3-[2-(4-chloro-3-fluorophenyl)-2-(2-methylphenoxy)ethyl]azetidine
SMILESCc1ccccc1OC(CC1CNC1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C18H19ClFNO/c1-12-4-2-3-5-17(12)22-18(8-13-10-21-11-13)14-6-7-15(19)16(20)9-14/h2-7,9,13,18,21H,8,10-11H2,1H3
InChIKeyAVYVBCVILBXGLV-UHFFFAOYSA-N
MW319.81 g/mol
LogP4.52
Rot. Bonds5

About 3-[2-(4-chloro-3-fluorophenyl)-2-(2-methylphenoxy)ethyl]azetidine

3-[2-(4-chloro-3-fluorophenyl)-2-(2-methylphenoxy)ethyl]azetidine (PubChem CID 118706542) has the molecular formula C18H19ClFNO and a molecular weight of 319.81 g/mol. Its IUPAC name is 3-[2-(4-chloro-3-fluorophenyl)-2-(2-methylphenoxy)ethyl]azetidine.

Molecular Properties

Compound Name3-[2-(4-chloro-3-fluorophenyl)-2-(2-methylphenoxy)ethyl]azetidine
PubChem CID118706542
Molecular FormulaC18H19ClFNO
Molecular Weight319.81 g/mol
Exact Mass319.11
IUPAC Name3-[2-(4-chloro-3-fluorophenyl)-2-(2-methylphenoxy)ethyl]azetidine
SMILESCc1ccccc1OC(CC1CNC1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C18H19ClFNO/c1-12-4-2-3-5-17(12)22-18(8-13-10-21-11-13)14-6-7-15(19)16(20)9-14/h2-7,9,13,18,21H,8,10-11H2,1H3
InChIKeyAVYVBCVILBXGLV-UHFFFAOYSA-N
XLogP4.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chloro-3-fluorophenyl)-2-(2-methylphenoxy)ethyl]azetidine?
The IUPAC name of 3-[2-(4-chloro-3-fluorophenyl)-2-(2-methylphenoxy)ethyl]azetidine (CID 118706542) is 3-[2-(4-chloro-3-fluorophenyl)-2-(2-methylphenoxy)ethyl]azetidine.
What is the SMILES notation for 3-[2-(4-chloro-3-fluorophenyl)-2-(2-methylphenoxy)ethyl]azetidine?
The canonical SMILES for 3-[2-(4-chloro-3-fluorophenyl)-2-(2-methylphenoxy)ethyl]azetidine is Cc1ccccc1OC(CC1CNC1)c1ccc(Cl)c(F)c1.
What is the InChIKey of 3-[2-(4-chloro-3-fluorophenyl)-2-(2-methylphenoxy)ethyl]azetidine?
The InChIKey is AVYVBCVILBXGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFNO/c1-12-4-2-3-5-17(12)22-18(8-13-10-21-11-13)14-6-7-15(19)16(20)9-14/h2-7,9,13,18,21H,8,10-11H2,1H3.
What are the key properties of 3-[2-(4-chloro-3-fluorophenyl)-2-(2-methylphenoxy)ethyl]azetidine?
3-[2-(4-chloro-3-fluorophenyl)-2-(2-methylphenoxy)ethyl]azetidine has a molecular weight of 319.81 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chloro-3-fluorophenyl)-2-(2-methylphenoxy)ethyl]azetidine is sourced from PubChem (CID 118706542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).