3-(5-bromo-2-fluorophenyl)-3-chlorooxetane

C9H7BrClFO — CID 116876552

IUPAC3-(5-bromo-2-fluorophenyl)-3-chlorooxetane
SMILESFc1ccc(Br)cc1C1(Cl)COC1
InChIInChI=1S/C9H7BrClFO/c10-6-1-2-8(12)7(3-6)9(11)4-13-5-9/h1-3H,4-5H2
InChIKeyQZTQXLKAZZDLCJ-UHFFFAOYSA-N
MW265.51 g/mol
LogP3.05
Rot. Bonds1

About 3-(5-bromo-2-fluorophenyl)-3-chlorooxetane

3-(5-bromo-2-fluorophenyl)-3-chlorooxetane (PubChem CID 116876552) has the molecular formula C9H7BrClFO and a molecular weight of 265.51 g/mol. Its IUPAC name is 3-(5-bromo-2-fluorophenyl)-3-chlorooxetane.

Molecular Properties

Compound Name3-(5-bromo-2-fluorophenyl)-3-chlorooxetane
PubChem CID116876552
Molecular FormulaC9H7BrClFO
Molecular Weight265.51 g/mol
Exact Mass263.94
IUPAC Name3-(5-bromo-2-fluorophenyl)-3-chlorooxetane
SMILESFc1ccc(Br)cc1C1(Cl)COC1
InChIInChI=1S/C9H7BrClFO/c10-6-1-2-8(12)7(3-6)9(11)4-13-5-9/h1-3H,4-5H2
InChIKeyQZTQXLKAZZDLCJ-UHFFFAOYSA-N
XLogP3.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.51
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(5-bromo-2-fluorophenyl)oxetan-3-yl]butan-1-amine
CID 116870231
3-(4-bromo-2-fluorophenyl)oxetan-3-amine
CID 155977887
2-[3-(5-bromo-2-fluorophenyl)oxetan-3-yl]-3-methylbutanenitrile
CID 116875577
1-[1-[3-(5-bromo-2-fluorophenyl)oxetan-3-yl]cyclobutyl]-N-methylmethanamine
CID 116874974
3-[3-(5-bromo-2-fluorophenyl)oxetan-3-yl]-2-methylpropanoic acid
CID 116872169
4-bromo-2-(3-chloro-1-methylcyclopentyl)-1-fluorobenzene
CID 116540408
[2-(5-bromo-2-fluorophenyl)-1,3-dioxolan-2-yl]methanamine
CID 82973726
3-(5-bromo-2-fluorophenyl)azetidin-3-ol
CID 79742267
3-(5-bromo-2-chlorophenyl)oxetan-3-amine
CID 134828100
8-(5-bromo-2-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 79743512
(3R)-3-(5-bromo-2-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-3-methyl-1,4-oxazepan-5-one
CID 58563118
3-(5-bromo-2-methylphenyl)oxetan-3-ol
CID 116873033

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-fluorophenyl)-3-chlorooxetane?
The IUPAC name of 3-(5-bromo-2-fluorophenyl)-3-chlorooxetane (CID 116876552) is 3-(5-bromo-2-fluorophenyl)-3-chlorooxetane.
What is the SMILES notation for 3-(5-bromo-2-fluorophenyl)-3-chlorooxetane?
The canonical SMILES for 3-(5-bromo-2-fluorophenyl)-3-chlorooxetane is Fc1ccc(Br)cc1C1(Cl)COC1.
What is the InChIKey of 3-(5-bromo-2-fluorophenyl)-3-chlorooxetane?
The InChIKey is QZTQXLKAZZDLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClFO/c10-6-1-2-8(12)7(3-6)9(11)4-13-5-9/h1-3H,4-5H2.
What are the key properties of 3-(5-bromo-2-fluorophenyl)-3-chlorooxetane?
3-(5-bromo-2-fluorophenyl)-3-chlorooxetane has a molecular weight of 265.51 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-fluorophenyl)-3-chlorooxetane is sourced from PubChem (CID 116876552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).