3-[3-bromo-5-(3-fluorooxetan-3-yl)phenyl]oxetan-3-ol

C12H12BrFO3 — CID 118948664

IUPAC3-[3-bromo-5-(3-fluorooxetan-3-yl)phenyl]oxetan-3-ol
SMILESOC1(c2cc(Br)cc(C3(F)COC3)c2)COC1
InChIInChI=1S/C12H12BrFO3/c13-10-2-8(11(14)4-16-5-11)1-9(3-10)12(15)6-17-7-12/h1-3,15H,4-7H2
InChIKeyIGDFMBQEKAQPAX-UHFFFAOYSA-N
MW303.13 g/mol
LogP1.86
Rot. Bonds2

About 3-[3-bromo-5-(3-fluorooxetan-3-yl)phenyl]oxetan-3-ol

3-[3-bromo-5-(3-fluorooxetan-3-yl)phenyl]oxetan-3-ol (PubChem CID 118948664) has the molecular formula C12H12BrFO3 and a molecular weight of 303.13 g/mol. Its IUPAC name is 3-[3-bromo-5-(3-fluorooxetan-3-yl)phenyl]oxetan-3-ol.

Molecular Properties

Compound Name3-[3-bromo-5-(3-fluorooxetan-3-yl)phenyl]oxetan-3-ol
PubChem CID118948664
Molecular FormulaC12H12BrFO3
Molecular Weight303.13 g/mol
Exact Mass302.00
IUPAC Name3-[3-bromo-5-(3-fluorooxetan-3-yl)phenyl]oxetan-3-ol
SMILESOC1(c2cc(Br)cc(C3(F)COC3)c2)COC1
InChIInChI=1S/C12H12BrFO3/c13-10-2-8(11(14)4-16-5-11)1-9(3-10)12(15)6-17-7-12/h1-3,15H,4-7H2
InChIKeyIGDFMBQEKAQPAX-UHFFFAOYSA-N
XLogP1.86
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.13
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-bromo-5-(3-fluorooxetan-3-yl)phenyl]oxetan-3-ol?
The IUPAC name of 3-[3-bromo-5-(3-fluorooxetan-3-yl)phenyl]oxetan-3-ol (CID 118948664) is 3-[3-bromo-5-(3-fluorooxetan-3-yl)phenyl]oxetan-3-ol.
What is the SMILES notation for 3-[3-bromo-5-(3-fluorooxetan-3-yl)phenyl]oxetan-3-ol?
The canonical SMILES for 3-[3-bromo-5-(3-fluorooxetan-3-yl)phenyl]oxetan-3-ol is OC1(c2cc(Br)cc(C3(F)COC3)c2)COC1.
What is the InChIKey of 3-[3-bromo-5-(3-fluorooxetan-3-yl)phenyl]oxetan-3-ol?
The InChIKey is IGDFMBQEKAQPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFO3/c13-10-2-8(11(14)4-16-5-11)1-9(3-10)12(15)6-17-7-12/h1-3,15H,4-7H2.
What are the key properties of 3-[3-bromo-5-(3-fluorooxetan-3-yl)phenyl]oxetan-3-ol?
3-[3-bromo-5-(3-fluorooxetan-3-yl)phenyl]oxetan-3-ol has a molecular weight of 303.13 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-bromo-5-(3-fluorooxetan-3-yl)phenyl]oxetan-3-ol is sourced from PubChem (CID 118948664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).