3-[(3-bromo-2,6-difluorophenyl)methyl]-3-(3-chlorophenyl)azetidine

C16H13BrClF2N — CID 106273183

IUPAC3-[(3-bromo-2,6-difluorophenyl)methyl]-3-(3-chlorophenyl)azetidine
SMILESFc1ccc(Br)c(F)c1CC1(c2cccc(Cl)c2)CNC1
InChIInChI=1S/C16H13BrClF2N/c17-13-4-5-14(19)12(15(13)20)7-16(8-21-9-16)10-2-1-3-11(18)6-10/h1-6,21H,7-9H2
InChIKeyQJNAHGVTUDZQMI-UHFFFAOYSA-N
MW372.64 g/mol
LogP4.46
Rot. Bonds3

About 3-[(3-bromo-2,6-difluorophenyl)methyl]-3-(3-chlorophenyl)azetidine

3-[(3-bromo-2,6-difluorophenyl)methyl]-3-(3-chlorophenyl)azetidine (PubChem CID 106273183) has the molecular formula C16H13BrClF2N and a molecular weight of 372.64 g/mol. Its IUPAC name is 3-[(3-bromo-2,6-difluorophenyl)methyl]-3-(3-chlorophenyl)azetidine.

Molecular Properties

Compound Name3-[(3-bromo-2,6-difluorophenyl)methyl]-3-(3-chlorophenyl)azetidine
PubChem CID106273183
Molecular FormulaC16H13BrClF2N
Molecular Weight372.64 g/mol
Exact Mass370.99
IUPAC Name3-[(3-bromo-2,6-difluorophenyl)methyl]-3-(3-chlorophenyl)azetidine
SMILESFc1ccc(Br)c(F)c1CC1(c2cccc(Cl)c2)CNC1
InChIInChI=1S/C16H13BrClF2N/c17-13-4-5-14(19)12(15(13)20)7-16(8-21-9-16)10-2-1-3-11(18)6-10/h1-6,21H,7-9H2
InChIKeyQJNAHGVTUDZQMI-UHFFFAOYSA-N
XLogP4.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.64
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-[(2-bromophenyl)methyl]-3-(3-chlorophenyl)azetidine
CID 79459620
3-(3-chlorophenyl)-3-[(2,5-difluorophenyl)methyl]azetidine
CID 79460198
3-[(2-chloro-3-fluorophenyl)methyl]-3-(3-chlorophenyl)azetidine
CID 115984680
3-[(3-bromo-2,6-difluorophenyl)methyl]-3-methylazetidine
CID 106273157
3-[(4-bromothiophen-2-yl)methyl]-3-(3-chlorophenyl)azetidine
CID 79460593
3-(3-chlorophenyl)-3-[(3-methylphenyl)methyl]azetidine
CID 79460298
3-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]azetidine
CID 79460293
3-[2-(3-bromophenoxy)ethyl]-3-(3-chlorophenyl)azetidine
CID 79459725
3-(3-bromophenyl)-3-[(4-fluorophenyl)methyl]azetidine
CID 79461032
3-[(2-bromo-5-fluorophenyl)methyl]-3-(3-methylphenyl)azetidine
CID 79460878
1-bromo-3-[(3-chlorophenyl)methoxymethyl]-2,4-difluorobenzene
CID 114166545
3-[(3-bromo-2,6-difluorophenyl)methyl]-3-fluoropiperidine
CID 106273472

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-2,6-difluorophenyl)methyl]-3-(3-chlorophenyl)azetidine?
The IUPAC name of 3-[(3-bromo-2,6-difluorophenyl)methyl]-3-(3-chlorophenyl)azetidine (CID 106273183) is 3-[(3-bromo-2,6-difluorophenyl)methyl]-3-(3-chlorophenyl)azetidine.
What is the SMILES notation for 3-[(3-bromo-2,6-difluorophenyl)methyl]-3-(3-chlorophenyl)azetidine?
The canonical SMILES for 3-[(3-bromo-2,6-difluorophenyl)methyl]-3-(3-chlorophenyl)azetidine is Fc1ccc(Br)c(F)c1CC1(c2cccc(Cl)c2)CNC1.
What is the InChIKey of 3-[(3-bromo-2,6-difluorophenyl)methyl]-3-(3-chlorophenyl)azetidine?
The InChIKey is QJNAHGVTUDZQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClF2N/c17-13-4-5-14(19)12(15(13)20)7-16(8-21-9-16)10-2-1-3-11(18)6-10/h1-6,21H,7-9H2.
What are the key properties of 3-[(3-bromo-2,6-difluorophenyl)methyl]-3-(3-chlorophenyl)azetidine?
3-[(3-bromo-2,6-difluorophenyl)methyl]-3-(3-chlorophenyl)azetidine has a molecular weight of 372.64 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-2,6-difluorophenyl)methyl]-3-(3-chlorophenyl)azetidine is sourced from PubChem (CID 106273183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).