1-(5-bromo-2-fluorophenoxy)-2-methylpropan-2-ol

C10H12BrFO2 — CID 99716802

IUPAC1-(5-bromo-2-fluorophenoxy)-2-methylpropan-2-ol
SMILESCC(C)(O)COc1cc(Br)ccc1F
InChIInChI=1S/C10H12BrFO2/c1-10(2,13)6-14-9-5-7(11)3-4-8(9)12/h3-5,13H,6H2,1-2H3
InChIKeyBGXVAROAPHWKBY-UHFFFAOYSA-N
MW263.11 g/mol
LogP2.74
Rot. Bonds3

About 1-(5-bromo-2-fluorophenoxy)-2-methylpropan-2-ol

1-(5-bromo-2-fluorophenoxy)-2-methylpropan-2-ol (PubChem CID 99716802) has the molecular formula C10H12BrFO2 and a molecular weight of 263.11 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenoxy)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenoxy)-2-methylpropan-2-ol
PubChem CID99716802
Molecular FormulaC10H12BrFO2
Molecular Weight263.11 g/mol
Exact Mass262.00
IUPAC Name1-(5-bromo-2-fluorophenoxy)-2-methylpropan-2-ol
SMILESCC(C)(O)COc1cc(Br)ccc1F
InChIInChI=1S/C10H12BrFO2/c1-10(2,13)6-14-9-5-7(11)3-4-8(9)12/h3-5,13H,6H2,1-2H3
InChIKeyBGXVAROAPHWKBY-UHFFFAOYSA-N
XLogP2.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.11
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-(5-bromo-2-fluorophenoxy)-2-hydroxy-2-methylpropanoate
CID 114671564
4-bromo-2-(3,3-dimethylbutoxy)-1-fluorobenzene
CID 114672544
4-bromo-1-fluoro-2-(2-methylidenebutoxy)benzene
CID 114672615
3-(5-bromo-2-fluorophenoxy)-N-tert-butyl-2-methylpropan-1-amine
CID 114674448
4-bromo-2-[2-(bromomethyl)-3,3-dimethylbutoxy]-1-fluorobenzene
CID 114672165
4-bromo-1-fluoro-2-(2-fluoroethoxy)benzene
CID 86627693
4-bromo-2-(ethoxymethoxy)-1-fluorobenzene
CID 114672897
tert-butyl N-[2-(5-bromo-2-fluorophenoxy)ethyl]carbamate
CID 138986153
4-bromo-1-fluoro-2-(3-methylsulfonylpropoxy)benzene
CID 115918306
1-(4-bromophenoxy)-2-methylpropan-2-ol
CID 21186342
2-(5-bromo-2-fluorophenoxy)-1-(4-methylphenyl)ethanone
CID 114674097
2-(5-bromo-2-fluorophenoxy)acetaldehyde
CID 114674078

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenoxy)-2-methylpropan-2-ol?
The IUPAC name of 1-(5-bromo-2-fluorophenoxy)-2-methylpropan-2-ol (CID 99716802) is 1-(5-bromo-2-fluorophenoxy)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(5-bromo-2-fluorophenoxy)-2-methylpropan-2-ol?
The canonical SMILES for 1-(5-bromo-2-fluorophenoxy)-2-methylpropan-2-ol is CC(C)(O)COc1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenoxy)-2-methylpropan-2-ol?
The InChIKey is BGXVAROAPHWKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFO2/c1-10(2,13)6-14-9-5-7(11)3-4-8(9)12/h3-5,13H,6H2,1-2H3.
What are the key properties of 1-(5-bromo-2-fluorophenoxy)-2-methylpropan-2-ol?
1-(5-bromo-2-fluorophenoxy)-2-methylpropan-2-ol has a molecular weight of 263.11 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenoxy)-2-methylpropan-2-ol is sourced from PubChem (CID 99716802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).