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

C11H12BrF2N — CID 106273157

IUPAC3-[(3-bromo-2,6-difluorophenyl)methyl]-3-methylazetidine
SMILESCC1(Cc2c(F)ccc(Br)c2F)CNC1
InChIInChI=1S/C11H12BrF2N/c1-11(5-15-6-11)4-7-9(13)3-2-8(12)10(7)14/h2-3,15H,4-6H2,1H3
InChIKeyUDDGAOKXDKXQQI-UHFFFAOYSA-N
MW276.12 g/mol
LogP2.88
Rot. Bonds2

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

3-[(3-bromo-2,6-difluorophenyl)methyl]-3-methylazetidine (PubChem CID 106273157) has the molecular formula C11H12BrF2N and a molecular weight of 276.12 g/mol. Its IUPAC name is 3-[(3-bromo-2,6-difluorophenyl)methyl]-3-methylazetidine.

Molecular Properties

Compound Name3-[(3-bromo-2,6-difluorophenyl)methyl]-3-methylazetidine
PubChem CID106273157
Molecular FormulaC11H12BrF2N
Molecular Weight276.12 g/mol
Exact Mass275.01
IUPAC Name3-[(3-bromo-2,6-difluorophenyl)methyl]-3-methylazetidine
SMILESCC1(Cc2c(F)ccc(Br)c2F)CNC1
InChIInChI=1S/C11H12BrF2N/c1-11(5-15-6-11)4-7-9(13)3-2-8(12)10(7)14/h2-3,15H,4-6H2,1H3
InChIKeyUDDGAOKXDKXQQI-UHFFFAOYSA-N
XLogP2.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 52.88
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-[(3-bromo-2,6-difluorophenyl)methyl]-3-(3-chlorophenyl)azetidine
CID 106273183
3-[(3-bromo-2,6-difluorophenyl)methyl]-3-fluoropiperidine
CID 106273472
3-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethyl-3-methylcyclopentan-1-amine
CID 106273067
1-[(3-bromo-2,6-difluorophenyl)methyl]-2-cyclopropyl-2-methylpiperazine
CID 106273265
1-(3-bromo-2,6-difluorophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 114165735
[1-[(3-bromo-2,6-difluorophenyl)methyl]cyclopentyl]methanol
CID 106273685
2-[(3-bromo-2,6-difluorophenyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 106273551
1-(3-bromo-2,6-difluorophenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 114165676
2-(3-bromo-2,6-difluorophenyl)-1-(3-methylpiperidin-3-yl)ethanone
CID 114166834
N-[[1-[(3-bromo-2,6-difluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 106271623
N-[[1-[(3-bromo-2,6-difluorophenyl)methyl]cyclopentyl]methyl]ethanamine
CID 106271392
1-[(3-bromo-2,6-difluorophenyl)methyl]-2-cyclopropyl-2,5-dimethylpiperazine
CID 106273284

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-2,6-difluorophenyl)methyl]-3-methylazetidine?
The IUPAC name of 3-[(3-bromo-2,6-difluorophenyl)methyl]-3-methylazetidine (CID 106273157) is 3-[(3-bromo-2,6-difluorophenyl)methyl]-3-methylazetidine.
What is the SMILES notation for 3-[(3-bromo-2,6-difluorophenyl)methyl]-3-methylazetidine?
The canonical SMILES for 3-[(3-bromo-2,6-difluorophenyl)methyl]-3-methylazetidine is CC1(Cc2c(F)ccc(Br)c2F)CNC1.
What is the InChIKey of 3-[(3-bromo-2,6-difluorophenyl)methyl]-3-methylazetidine?
The InChIKey is UDDGAOKXDKXQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF2N/c1-11(5-15-6-11)4-7-9(13)3-2-8(12)10(7)14/h2-3,15H,4-6H2,1H3.
What are the key properties of 3-[(3-bromo-2,6-difluorophenyl)methyl]-3-methylazetidine?
3-[(3-bromo-2,6-difluorophenyl)methyl]-3-methylazetidine has a molecular weight of 276.12 g/mol, XLogP of 2.88, 2 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-methylazetidine is sourced from PubChem (CID 106273157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).