3-[5-bromo-2-(2-fluoro-1-phenylethoxy)phenoxy]azetidine

C17H17BrFNO2 — CID 58405125

IUPAC3-[5-bromo-2-(2-fluoro-1-phenylethoxy)phenoxy]azetidine
SMILESFCC(Oc1ccc(Br)cc1OC1CNC1)c1ccccc1
InChIInChI=1S/C17H17BrFNO2/c18-13-6-7-15(16(8-13)21-14-10-20-11-14)22-17(9-19)12-4-2-1-3-5-12/h1-8,14,17,20H,9-11H2
InChIKeyLMLHWFYDWGHUQC-UHFFFAOYSA-N
MW366.23 g/mol
LogP3.89
Rot. Bonds6

About 3-[5-bromo-2-(2-fluoro-1-phenylethoxy)phenoxy]azetidine

3-[5-bromo-2-(2-fluoro-1-phenylethoxy)phenoxy]azetidine (PubChem CID 58405125) has the molecular formula C17H17BrFNO2 and a molecular weight of 366.23 g/mol. Its IUPAC name is 3-[5-bromo-2-(2-fluoro-1-phenylethoxy)phenoxy]azetidine.

Molecular Properties

Compound Name3-[5-bromo-2-(2-fluoro-1-phenylethoxy)phenoxy]azetidine
PubChem CID58405125
Molecular FormulaC17H17BrFNO2
Molecular Weight366.23 g/mol
Exact Mass365.04
IUPAC Name3-[5-bromo-2-(2-fluoro-1-phenylethoxy)phenoxy]azetidine
SMILESFCC(Oc1ccc(Br)cc1OC1CNC1)c1ccccc1
InChIInChI=1S/C17H17BrFNO2/c18-13-6-7-15(16(8-13)21-14-10-20-11-14)22-17(9-19)12-4-2-1-3-5-12/h1-8,14,17,20H,9-11H2
InChIKeyLMLHWFYDWGHUQC-UHFFFAOYSA-N
XLogP3.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.23
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromo-2-phenylphenoxy)azetidine
CID 56777510
3-[5-bromo-2-(3-fluorophenoxy)phenoxy]azetidine
CID 46215135
3-[2-(1-phenylethoxy)-5-(trifluoromethyl)phenoxy]azetidine
CID 67346288
3-(4-bromo-2-methylphenoxy)azetidine
CID 24902314
3-[2-(1-phenylethoxy)-5-(trifluoromethyl)phenoxy]azetidine;hydrochloride
CID 67347792
3-(4-bromo-2-ethylphenoxy)azetidine
CID 53409294
3-[5-bromo-2-[(4-chlorophenyl)methoxy]phenoxy]azetidine
CID 46215489
3-(1,6-dibromonaphthalen-2-yl)oxyazetidine
CID 53409373
N-[2-(4-bromo-2-methylphenoxy)-2-phenylethyl]cyclopropanamine
CID 63497564
4-bromo-2-ethenyl-1-(1-phenylbut-3-enoxy)benzene
CID 166977639
3-[5-bromo-2-[(5-ethyl-2,3-dihydro-1H-inden-1-yl)oxy]phenoxy]azetidine
CID 68620850
3-(5-chloro-2-phenylmethoxyphenoxy)azetidine
CID 58405156

Frequently Asked Questions

What is the IUPAC name of 3-[5-bromo-2-(2-fluoro-1-phenylethoxy)phenoxy]azetidine?
The IUPAC name of 3-[5-bromo-2-(2-fluoro-1-phenylethoxy)phenoxy]azetidine (CID 58405125) is 3-[5-bromo-2-(2-fluoro-1-phenylethoxy)phenoxy]azetidine.
What is the SMILES notation for 3-[5-bromo-2-(2-fluoro-1-phenylethoxy)phenoxy]azetidine?
The canonical SMILES for 3-[5-bromo-2-(2-fluoro-1-phenylethoxy)phenoxy]azetidine is FCC(Oc1ccc(Br)cc1OC1CNC1)c1ccccc1.
What is the InChIKey of 3-[5-bromo-2-(2-fluoro-1-phenylethoxy)phenoxy]azetidine?
The InChIKey is LMLHWFYDWGHUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO2/c18-13-6-7-15(16(8-13)21-14-10-20-11-14)22-17(9-19)12-4-2-1-3-5-12/h1-8,14,17,20H,9-11H2.
What are the key properties of 3-[5-bromo-2-(2-fluoro-1-phenylethoxy)phenoxy]azetidine?
3-[5-bromo-2-(2-fluoro-1-phenylethoxy)phenoxy]azetidine has a molecular weight of 366.23 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-bromo-2-(2-fluoro-1-phenylethoxy)phenoxy]azetidine is sourced from PubChem (CID 58405125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).