2-(3-bromo-2,6-difluorophenyl)azetidine

C9H8BrF2N — CID 130061365

IUPAC2-(3-bromo-2,6-difluorophenyl)azetidine
SMILESFc1ccc(Br)c(F)c1C1CCN1
InChIInChI=1S/C9H8BrF2N/c10-5-1-2-6(11)8(9(5)12)7-3-4-13-7/h1-2,7,13H,3-4H2
InChIKeyAPTOLJMBTFMUFQ-UHFFFAOYSA-N
MW248.07 g/mol
LogP2.76
Rot. Bonds1

About 2-(3-bromo-2,6-difluorophenyl)azetidine

2-(3-bromo-2,6-difluorophenyl)azetidine (PubChem CID 130061365) has the molecular formula C9H8BrF2N and a molecular weight of 248.07 g/mol. Its IUPAC name is 2-(3-bromo-2,6-difluorophenyl)azetidine.

Molecular Properties

Compound Name2-(3-bromo-2,6-difluorophenyl)azetidine
PubChem CID130061365
Molecular FormulaC9H8BrF2N
Molecular Weight248.07 g/mol
Exact Mass246.98
IUPAC Name2-(3-bromo-2,6-difluorophenyl)azetidine
SMILESFc1ccc(Br)c(F)c1C1CCN1
InChIInChI=1S/C9H8BrF2N/c10-5-1-2-6(11)8(9(5)12)7-3-4-13-7/h1-2,7,13H,3-4H2
InChIKeyAPTOLJMBTFMUFQ-UHFFFAOYSA-N
XLogP2.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.07
LogP ≤ 52.76
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

(2S)-2-(3-bromo-2,6-difluorophenyl)piperazine
CID 131548332
(2R)-2-(2-bromo-6-fluorophenyl)azetidine;hydrochloride
CID 171197230
(4R)-4-(3-bromo-2,6-difluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184446
2-(2,3,4,5,6-pentafluorophenyl)azetidine
CID 71751503
2-[(2S)-azetidin-2-yl]-4,6-dibromo-3-fluoroaniline
CID 131190603
5-(3-bromo-2,6-difluorophenyl)pyrrolidine-3-carboxylic acid
CID 117491075
2-[(2S)-azetidin-2-yl]-3-bromo-5,6-difluorophenol
CID 130700324
(2S)-2-(2,3,5,6-tetrafluorophenyl)azetidine
CID 130618246
(2R)-2-(2,6-difluoro-3-methylphenyl)pyrrolidine
CID 66518496
2-(3-bromo-6-fluoro-2-methoxyphenyl)piperidine
CID 117465059
2-(3-bromo-2-fluoro-6-methoxyphenyl)piperidine
CID 84814358
2-(2,6-difluoro-3-methylphenyl)pyrrolidine;hydrochloride
CID 138040825

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,6-difluorophenyl)azetidine?
The IUPAC name of 2-(3-bromo-2,6-difluorophenyl)azetidine (CID 130061365) is 2-(3-bromo-2,6-difluorophenyl)azetidine.
What is the SMILES notation for 2-(3-bromo-2,6-difluorophenyl)azetidine?
The canonical SMILES for 2-(3-bromo-2,6-difluorophenyl)azetidine is Fc1ccc(Br)c(F)c1C1CCN1.
What is the InChIKey of 2-(3-bromo-2,6-difluorophenyl)azetidine?
The InChIKey is APTOLJMBTFMUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF2N/c10-5-1-2-6(11)8(9(5)12)7-3-4-13-7/h1-2,7,13H,3-4H2.
What are the key properties of 2-(3-bromo-2,6-difluorophenyl)azetidine?
2-(3-bromo-2,6-difluorophenyl)azetidine has a molecular weight of 248.07 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,6-difluorophenyl)azetidine is sourced from PubChem (CID 130061365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).