3-[(2,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)azetidine

C16H14Cl2FN — CID 79460976

IUPAC3-[(2,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)azetidine
SMILESFc1ccc(C2(Cc3ccc(Cl)cc3Cl)CNC2)cc1
InChIInChI=1S/C16H14Cl2FN/c17-13-4-1-11(15(18)7-13)8-16(9-20-10-16)12-2-5-14(19)6-3-12/h1-7,20H,8-10H2
InChIKeyLONIAIYYGOCRMF-UHFFFAOYSA-N
MW310.20 g/mol
LogP4.22
Rot. Bonds3

About 3-[(2,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)azetidine

3-[(2,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)azetidine (PubChem CID 79460976) has the molecular formula C16H14Cl2FN and a molecular weight of 310.20 g/mol. Its IUPAC name is 3-[(2,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)azetidine.

Molecular Properties

Compound Name3-[(2,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)azetidine
PubChem CID79460976
Molecular FormulaC16H14Cl2FN
Molecular Weight310.20 g/mol
Exact Mass309.05
IUPAC Name3-[(2,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)azetidine
SMILESFc1ccc(C2(Cc3ccc(Cl)cc3Cl)CNC2)cc1
InChIInChI=1S/C16H14Cl2FN/c17-13-4-1-11(15(18)7-13)8-16(9-20-10-16)12-2-5-14(19)6-3-12/h1-7,20H,8-10H2
InChIKeyLONIAIYYGOCRMF-UHFFFAOYSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.20
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(2-chloro-5-fluorophenyl)methyl]-3-(4-chlorophenyl)azetidine
CID 102621662
3-(4-chlorophenyl)-3-[(5-fluoro-2-methylphenyl)methyl]azetidine
CID 105376161
3-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]azetidine
CID 79451271
3-(3-chlorophenyl)-3-[(2,5-difluorophenyl)methyl]azetidine
CID 79460198
3-[(4-fluoro-2-methylphenyl)methyl]-3-(4-fluorophenyl)azetidine
CID 114350031
3-[(2-bromo-4-fluorophenyl)methyl]-3-(4-bromophenyl)azetidine
CID 79460518
3-[(2-chloro-3-fluorophenyl)methyl]-3-(3-chlorophenyl)azetidine
CID 115984680
3-(2-chlorophenyl)-3-[(2,4-difluorophenyl)methyl]azetidine
CID 79460895
3-[(2-chloro-5-fluorophenyl)methyl]-3-(2-fluorophenyl)azetidine
CID 102621675
3-(4-fluorophenyl)-3-[(4-iodophenyl)methyl]azetidine
CID 79460170
3-(4-chlorophenyl)-3-[(2,4,6-trimethylphenyl)methyl]azetidine
CID 79451031
3-(4-chlorophenyl)-3-[(4-ethylphenyl)methyl]azetidine
CID 79451883

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)azetidine?
The IUPAC name of 3-[(2,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)azetidine (CID 79460976) is 3-[(2,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)azetidine.
What is the SMILES notation for 3-[(2,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)azetidine?
The canonical SMILES for 3-[(2,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)azetidine is Fc1ccc(C2(Cc3ccc(Cl)cc3Cl)CNC2)cc1.
What is the InChIKey of 3-[(2,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)azetidine?
The InChIKey is LONIAIYYGOCRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2FN/c17-13-4-1-11(15(18)7-13)8-16(9-20-10-16)12-2-5-14(19)6-3-12/h1-7,20H,8-10H2.
What are the key properties of 3-[(2,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)azetidine?
3-[(2,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)azetidine has a molecular weight of 310.20 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)azetidine is sourced from PubChem (CID 79460976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).