3-(4-bromo-2,5-difluorophenyl)azetidin-3-amine

C9H9BrF2N2 — CID 166607952

IUPAC3-(4-bromo-2,5-difluorophenyl)azetidin-3-amine
SMILESNC1(c2cc(F)c(Br)cc2F)CNC1
InChIInChI=1S/C9H9BrF2N2/c10-6-2-7(11)5(1-8(6)12)9(13)3-14-4-9/h1-2,14H,3-4,13H2
InChIKeyHRXRKOFSMDFRHY-UHFFFAOYSA-N
MW263.08 g/mol
LogP1.48
Rot. Bonds1

About 3-(4-bromo-2,5-difluorophenyl)azetidin-3-amine

3-(4-bromo-2,5-difluorophenyl)azetidin-3-amine (PubChem CID 166607952) has the molecular formula C9H9BrF2N2 and a molecular weight of 263.08 g/mol. Its IUPAC name is 3-(4-bromo-2,5-difluorophenyl)azetidin-3-amine.

Molecular Properties

Compound Name3-(4-bromo-2,5-difluorophenyl)azetidin-3-amine
PubChem CID166607952
Molecular FormulaC9H9BrF2N2
Molecular Weight263.08 g/mol
Exact Mass261.99
IUPAC Name3-(4-bromo-2,5-difluorophenyl)azetidin-3-amine
SMILESNC1(c2cc(F)c(Br)cc2F)CNC1
InChIInChI=1S/C9H9BrF2N2/c10-6-2-7(11)5(1-8(6)12)9(13)3-14-4-9/h1-2,14H,3-4,13H2
InChIKeyHRXRKOFSMDFRHY-UHFFFAOYSA-N
XLogP1.48
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.08
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-bromo-2,4-difluorophenyl)cyclopentan-1-amine
CID 84810883
3-(2,3,5-trifluorophenyl)azetidin-3-amine;hydrochloride
CID 166608984
3-(2-fluoro-4-methylphenyl)azetidin-3-amine;hydrochloride
CID 166607898
3-[2-fluoro-4-(trifluoromethyl)phenyl]azetidin-3-amine
CID 166607944
3-(2-bromophenyl)azetidin-3-amine;hydrochloride
CID 166608779
4-(1-aminocyclohexyl)-2-bromo-5-fluorophenol
CID 84814370
3-(4-bromo-2,3-dimethylphenyl)azetidin-3-amine
CID 166608633
4-(1-aminocyclopropyl)-2,5-difluorophenol
CID 117280020
3-[2-(2-bromophenyl)phenyl]azetidin-3-amine
CID 166608053
5-bromo-6-fluoro-3,3-dimethyl-1,2-dihydroindole;hydrochloride
CID 136576261
3-[4-fluoro-2-(trifluoromethyl)phenyl]azetidin-3-amine
CID 166607942
3-(5-fluoro-2-methylphenyl)azetidin-3-amine;hydrochloride
CID 166607949

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2,5-difluorophenyl)azetidin-3-amine?
The IUPAC name of 3-(4-bromo-2,5-difluorophenyl)azetidin-3-amine (CID 166607952) is 3-(4-bromo-2,5-difluorophenyl)azetidin-3-amine.
What is the SMILES notation for 3-(4-bromo-2,5-difluorophenyl)azetidin-3-amine?
The canonical SMILES for 3-(4-bromo-2,5-difluorophenyl)azetidin-3-amine is NC1(c2cc(F)c(Br)cc2F)CNC1.
What is the InChIKey of 3-(4-bromo-2,5-difluorophenyl)azetidin-3-amine?
The InChIKey is HRXRKOFSMDFRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF2N2/c10-6-2-7(11)5(1-8(6)12)9(13)3-14-4-9/h1-2,14H,3-4,13H2.
What are the key properties of 3-(4-bromo-2,5-difluorophenyl)azetidin-3-amine?
3-(4-bromo-2,5-difluorophenyl)azetidin-3-amine has a molecular weight of 263.08 g/mol, XLogP of 1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2,5-difluorophenyl)azetidin-3-amine is sourced from PubChem (CID 166607952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).