1-(2-bromo-5-fluorophenyl)-3-methylazetidine

C10H11BrFN — CID 107641053

IUPAC1-(2-bromo-5-fluorophenyl)-3-methylazetidine
SMILESCC1CN(c2cc(F)ccc2Br)C1
InChIInChI=1S/C10H11BrFN/c1-7-5-13(6-7)10-4-8(12)2-3-9(10)11/h2-4,7H,5-6H2,1H3
InChIKeyGCPATEOJDAALIH-UHFFFAOYSA-N
MW244.11 g/mol
LogP3.04
Rot. Bonds1

About 1-(2-bromo-5-fluorophenyl)-3-methylazetidine

1-(2-bromo-5-fluorophenyl)-3-methylazetidine (PubChem CID 107641053) has the molecular formula C10H11BrFN and a molecular weight of 244.11 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-3-methylazetidine.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-3-methylazetidine
PubChem CID107641053
Molecular FormulaC10H11BrFN
Molecular Weight244.11 g/mol
Exact Mass243.01
IUPAC Name1-(2-bromo-5-fluorophenyl)-3-methylazetidine
SMILESCC1CN(c2cc(F)ccc2Br)C1
InChIInChI=1S/C10H11BrFN/c1-7-5-13(6-7)10-4-8(12)2-3-9(10)11/h2-4,7H,5-6H2,1H3
InChIKeyGCPATEOJDAALIH-UHFFFAOYSA-N
XLogP3.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.11
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-5-methylphenyl)-3-methylazetidine
CID 82757161
1-(2-bromo-5-fluorophenyl)azepane
CID 84713262
(3R)-1-(2-bromo-5-fluorophenyl)piperidin-3-ol
CID 170753354
1-(2-bromo-5-fluorophenyl)-N-ethylpiperidin-4-amine
CID 107636369
1-(2-bromo-5-fluorophenyl)-3-tert-butyl-1,4-diazepane
CID 107640121
N-[[1-(2-bromo-5-fluorophenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 107636418
1-(2-bromo-5-fluorophenyl)-3-phenylpiperazine
CID 107640112
2-(2-bromo-5-fluorophenyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 107640052
1-(2-bromo-5-fluorophenyl)-3-(2-methylpropyl)-1,4-diazepane
CID 107640081
1-(2-bromo-5-fluorophenyl)-5-methylpyrazole
CID 172608601
1-(2-bromo-5-fluorophenyl)-3-cyclohexyl-1,4-diazepane
CID 107640057
2-(3,4-dimethylpyrrolidin-1-yl)-5-fluoroaniline
CID 79189175

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-3-methylazetidine?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-3-methylazetidine (CID 107641053) is 1-(2-bromo-5-fluorophenyl)-3-methylazetidine.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-3-methylazetidine?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-3-methylazetidine is CC1CN(c2cc(F)ccc2Br)C1.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-3-methylazetidine?
The InChIKey is GCPATEOJDAALIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFN/c1-7-5-13(6-7)10-4-8(12)2-3-9(10)11/h2-4,7H,5-6H2,1H3.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-3-methylazetidine?
1-(2-bromo-5-fluorophenyl)-3-methylazetidine has a molecular weight of 244.11 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)-3-methylazetidine is sourced from PubChem (CID 107641053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).