3-[(5-bromo-2-fluorophenyl)methyl]-3-(2-bromophenyl)azetidine

C16H14Br2FN — CID 79460230

IUPAC3-[(5-bromo-2-fluorophenyl)methyl]-3-(2-bromophenyl)azetidine
SMILESFc1ccc(Br)cc1CC1(c2ccccc2Br)CNC1
InChIInChI=1S/C16H14Br2FN/c17-12-5-6-15(19)11(7-12)8-16(9-20-10-16)13-3-1-2-4-14(13)18/h1-7,20H,8-10H2
InChIKeyHCZVCYYDMGWXTI-UHFFFAOYSA-N
MW399.10 g/mol
LogP4.43
Rot. Bonds3

About 3-[(5-bromo-2-fluorophenyl)methyl]-3-(2-bromophenyl)azetidine

3-[(5-bromo-2-fluorophenyl)methyl]-3-(2-bromophenyl)azetidine (PubChem CID 79460230) has the molecular formula C16H14Br2FN and a molecular weight of 399.10 g/mol. Its IUPAC name is 3-[(5-bromo-2-fluorophenyl)methyl]-3-(2-bromophenyl)azetidine.

Molecular Properties

Compound Name3-[(5-bromo-2-fluorophenyl)methyl]-3-(2-bromophenyl)azetidine
PubChem CID79460230
Molecular FormulaC16H14Br2FN
Molecular Weight399.10 g/mol
Exact Mass396.95
IUPAC Name3-[(5-bromo-2-fluorophenyl)methyl]-3-(2-bromophenyl)azetidine
SMILESFc1ccc(Br)cc1CC1(c2ccccc2Br)CNC1
InChIInChI=1S/C16H14Br2FN/c17-12-5-6-15(19)11(7-12)8-16(9-20-10-16)13-3-1-2-4-14(13)18/h1-7,20H,8-10H2
InChIKeyHCZVCYYDMGWXTI-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.10
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-fluorophenyl)methyl]-3-(2-bromophenyl)azetidine?
The IUPAC name of 3-[(5-bromo-2-fluorophenyl)methyl]-3-(2-bromophenyl)azetidine (CID 79460230) is 3-[(5-bromo-2-fluorophenyl)methyl]-3-(2-bromophenyl)azetidine.
What is the SMILES notation for 3-[(5-bromo-2-fluorophenyl)methyl]-3-(2-bromophenyl)azetidine?
The canonical SMILES for 3-[(5-bromo-2-fluorophenyl)methyl]-3-(2-bromophenyl)azetidine is Fc1ccc(Br)cc1CC1(c2ccccc2Br)CNC1.
What is the InChIKey of 3-[(5-bromo-2-fluorophenyl)methyl]-3-(2-bromophenyl)azetidine?
The InChIKey is HCZVCYYDMGWXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2FN/c17-12-5-6-15(19)11(7-12)8-16(9-20-10-16)13-3-1-2-4-14(13)18/h1-7,20H,8-10H2.
What are the key properties of 3-[(5-bromo-2-fluorophenyl)methyl]-3-(2-bromophenyl)azetidine?
3-[(5-bromo-2-fluorophenyl)methyl]-3-(2-bromophenyl)azetidine has a molecular weight of 399.10 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-fluorophenyl)methyl]-3-(2-bromophenyl)azetidine is sourced from PubChem (CID 79460230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).