3-(3-bromo-2,6-difluorophenoxy)-2,2-dimethylpropan-1-ol

C11H13BrF2O2 — CID 106941424

IUPAC3-(3-bromo-2,6-difluorophenoxy)-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)COc1c(F)ccc(Br)c1F
InChIInChI=1S/C11H13BrF2O2/c1-11(2,5-15)6-16-10-8(13)4-3-7(12)9(10)14/h3-4,15H,5-6H2,1-2H3
InChIKeyFBGLCYDQXWBTAV-UHFFFAOYSA-N
MW295.12 g/mol
LogP3.12
Rot. Bonds4

About 3-(3-bromo-2,6-difluorophenoxy)-2,2-dimethylpropan-1-ol

3-(3-bromo-2,6-difluorophenoxy)-2,2-dimethylpropan-1-ol (PubChem CID 106941424) has the molecular formula C11H13BrF2O2 and a molecular weight of 295.12 g/mol. Its IUPAC name is 3-(3-bromo-2,6-difluorophenoxy)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-(3-bromo-2,6-difluorophenoxy)-2,2-dimethylpropan-1-ol
PubChem CID106941424
Molecular FormulaC11H13BrF2O2
Molecular Weight295.12 g/mol
Exact Mass294.01
IUPAC Name3-(3-bromo-2,6-difluorophenoxy)-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)COc1c(F)ccc(Br)c1F
InChIInChI=1S/C11H13BrF2O2/c1-11(2,5-15)6-16-10-8(13)4-3-7(12)9(10)14/h3-4,15H,5-6H2,1-2H3
InChIKeyFBGLCYDQXWBTAV-UHFFFAOYSA-N
XLogP3.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.12
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-bromo-2,4-difluoro-3-methoxybenzene
CID 18371109
3-(4-bromo-3-chlorophenoxy)-2,2-dimethylpropan-1-ol
CID 175336330
(3-bromo-2,6-difluorophenyl) N-tert-butylcarbamate
CID 174652511
2-(aminomethyl)-3-(3-bromo-2,6-difluorophenyl)-2-methylpropan-1-ol
CID 106272229
(2R)-3-(4-bromo-3-fluorophenoxy)-2-methylpropane-1,2-diol
CID 129250594
1-(3-bromo-2,6-difluorophenyl)-3-methoxy-2-methylpropan-2-ol
CID 106265143
2-(4-bromo-3-fluoro-2-methoxyphenyl)propan-2-ol
CID 84711006
1,2-dibromo-3-ethoxy-4-fluorobenzene
CID 118847248
3-(4-ethoxyphenoxy)-2,2-dimethylpropan-1-ol
CID 79019164
3-[3-bromo-5-fluoro-4-(3-hydroxy-2,2-dimethylpropoxy)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 137377930
2-[(3-bromo-2,6-difluorophenyl)methyl]-2-propan-2-ylpropane-1,3-diol
CID 114166996
3-(3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-ol
CID 14512536

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2,6-difluorophenoxy)-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-(3-bromo-2,6-difluorophenoxy)-2,2-dimethylpropan-1-ol (CID 106941424) is 3-(3-bromo-2,6-difluorophenoxy)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-(3-bromo-2,6-difluorophenoxy)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-(3-bromo-2,6-difluorophenoxy)-2,2-dimethylpropan-1-ol is CC(C)(CO)COc1c(F)ccc(Br)c1F.
What is the InChIKey of 3-(3-bromo-2,6-difluorophenoxy)-2,2-dimethylpropan-1-ol?
The InChIKey is FBGLCYDQXWBTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF2O2/c1-11(2,5-15)6-16-10-8(13)4-3-7(12)9(10)14/h3-4,15H,5-6H2,1-2H3.
What are the key properties of 3-(3-bromo-2,6-difluorophenoxy)-2,2-dimethylpropan-1-ol?
3-(3-bromo-2,6-difluorophenoxy)-2,2-dimethylpropan-1-ol has a molecular weight of 295.12 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-2,6-difluorophenoxy)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 106941424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).