4-(2-bromo-3-fluorophenyl)oxane

C11H12BrFO — CID 117104485

IUPAC4-(2-bromo-3-fluorophenyl)oxane
SMILESFc1cccc(C2CCOCC2)c1Br
InChIInChI=1S/C11H12BrFO/c12-11-9(2-1-3-10(11)13)8-4-6-14-7-5-8/h1-3,8H,4-7H2
InChIKeyGPDHYTFYOXHEJA-UHFFFAOYSA-N
MW259.12 g/mol
LogP3.48
Rot. Bonds1

About 4-(2-bromo-3-fluorophenyl)oxane

4-(2-bromo-3-fluorophenyl)oxane (PubChem CID 117104485) has the molecular formula C11H12BrFO and a molecular weight of 259.12 g/mol. Its IUPAC name is 4-(2-bromo-3-fluorophenyl)oxane.

Molecular Properties

Compound Name4-(2-bromo-3-fluorophenyl)oxane
PubChem CID117104485
Molecular FormulaC11H12BrFO
Molecular Weight259.12 g/mol
Exact Mass258.01
IUPAC Name4-(2-bromo-3-fluorophenyl)oxane
SMILESFc1cccc(C2CCOCC2)c1Br
InChIInChI=1S/C11H12BrFO/c12-11-9(2-1-3-10(11)13)8-4-6-14-7-5-8/h1-3,8H,4-7H2
InChIKeyGPDHYTFYOXHEJA-UHFFFAOYSA-N
XLogP3.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.12
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-6-(oxan-4-yl)phenol
CID 117104483
(3R)-3-(2-bromo-3-fluorophenyl)piperidine
CID 130628517
3-fluoro-2-(oxan-4-yl)phenol
CID 117104359
(3S)-3-(2-bromo-3-fluorophenyl)morpholine;hydrochloride
CID 171193150
2-(2-bromo-3-fluorophenyl)cyclopropan-1-amine
CID 131020942
(4R)-4-(2-bromo-3-fluorophenyl)-1,3-oxazolidin-2-one
CID 131085137
4-[2-(trifluoromethyl)phenyl]oxane
CID 90852424
2-(2-bromo-3-fluorophenyl)piperidine
CID 84709368
4-(4-ethyl-2-fluorophenyl)oxane
CID 149055517
2-bromo-6-fluoro-N-(oxan-4-ylmethyl)aniline
CID 104626192
2-bromo-N-[(2-cyclopropylphenyl)methyl]-6-fluoroaniline
CID 107598245
4-(2-fluoro-4-propylphenyl)oxane
CID 153081672

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-3-fluorophenyl)oxane?
The IUPAC name of 4-(2-bromo-3-fluorophenyl)oxane (CID 117104485) is 4-(2-bromo-3-fluorophenyl)oxane.
What is the SMILES notation for 4-(2-bromo-3-fluorophenyl)oxane?
The canonical SMILES for 4-(2-bromo-3-fluorophenyl)oxane is Fc1cccc(C2CCOCC2)c1Br.
What is the InChIKey of 4-(2-bromo-3-fluorophenyl)oxane?
The InChIKey is GPDHYTFYOXHEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFO/c12-11-9(2-1-3-10(11)13)8-4-6-14-7-5-8/h1-3,8H,4-7H2.
What are the key properties of 4-(2-bromo-3-fluorophenyl)oxane?
4-(2-bromo-3-fluorophenyl)oxane has a molecular weight of 259.12 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-3-fluorophenyl)oxane is sourced from PubChem (CID 117104485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).