3-[2-(3-chlorophenoxy)-2-(3,4-difluorophenyl)ethyl]azetidine

C17H16ClF2NO — CID 118706547

IUPAC3-[2-(3-chlorophenoxy)-2-(3,4-difluorophenyl)ethyl]azetidine
SMILESFc1ccc(C(CC2CNC2)Oc2cccc(Cl)c2)cc1F
InChIInChI=1S/C17H16ClF2NO/c18-13-2-1-3-14(8-13)22-17(6-11-9-21-10-11)12-4-5-15(19)16(20)7-12/h1-5,7-8,11,17,21H,6,9-10H2
InChIKeyWALNRLHGEDDGRH-UHFFFAOYSA-N
MW323.77 g/mol
LogP4.35
Rot. Bonds5

About 3-[2-(3-chlorophenoxy)-2-(3,4-difluorophenyl)ethyl]azetidine

3-[2-(3-chlorophenoxy)-2-(3,4-difluorophenyl)ethyl]azetidine (PubChem CID 118706547) has the molecular formula C17H16ClF2NO and a molecular weight of 323.77 g/mol. Its IUPAC name is 3-[2-(3-chlorophenoxy)-2-(3,4-difluorophenyl)ethyl]azetidine.

Molecular Properties

Compound Name3-[2-(3-chlorophenoxy)-2-(3,4-difluorophenyl)ethyl]azetidine
PubChem CID118706547
Molecular FormulaC17H16ClF2NO
Molecular Weight323.77 g/mol
Exact Mass323.09
IUPAC Name3-[2-(3-chlorophenoxy)-2-(3,4-difluorophenyl)ethyl]azetidine
SMILESFc1ccc(C(CC2CNC2)Oc2cccc(Cl)c2)cc1F
InChIInChI=1S/C17H16ClF2NO/c18-13-2-1-3-14(8-13)22-17(6-11-9-21-10-11)12-4-5-15(19)16(20)7-12/h1-5,7-8,11,17,21H,6,9-10H2
InChIKeyWALNRLHGEDDGRH-UHFFFAOYSA-N
XLogP4.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.77
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-chlorophenoxy)-2-(3,4-difluorophenyl)ethyl]azetidine?
The IUPAC name of 3-[2-(3-chlorophenoxy)-2-(3,4-difluorophenyl)ethyl]azetidine (CID 118706547) is 3-[2-(3-chlorophenoxy)-2-(3,4-difluorophenyl)ethyl]azetidine.
What is the SMILES notation for 3-[2-(3-chlorophenoxy)-2-(3,4-difluorophenyl)ethyl]azetidine?
The canonical SMILES for 3-[2-(3-chlorophenoxy)-2-(3,4-difluorophenyl)ethyl]azetidine is Fc1ccc(C(CC2CNC2)Oc2cccc(Cl)c2)cc1F.
What is the InChIKey of 3-[2-(3-chlorophenoxy)-2-(3,4-difluorophenyl)ethyl]azetidine?
The InChIKey is WALNRLHGEDDGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF2NO/c18-13-2-1-3-14(8-13)22-17(6-11-9-21-10-11)12-4-5-15(19)16(20)7-12/h1-5,7-8,11,17,21H,6,9-10H2.
What are the key properties of 3-[2-(3-chlorophenoxy)-2-(3,4-difluorophenyl)ethyl]azetidine?
3-[2-(3-chlorophenoxy)-2-(3,4-difluorophenyl)ethyl]azetidine has a molecular weight of 323.77 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-chlorophenoxy)-2-(3,4-difluorophenyl)ethyl]azetidine is sourced from PubChem (CID 118706547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).