1-(5-bromo-2,3-difluorophenoxy)-2-methylbutan-2-ol

C11H13BrF2O2 — CID 107100783

IUPAC1-(5-bromo-2,3-difluorophenoxy)-2-methylbutan-2-ol
SMILESCCC(C)(O)COc1cc(Br)cc(F)c1F
InChIInChI=1S/C11H13BrF2O2/c1-3-11(2,15)6-16-9-5-7(12)4-8(13)10(9)14/h4-5,15H,3,6H2,1-2H3
InChIKeyRNLADGKXKBYZGS-UHFFFAOYSA-N
MW295.12 g/mol
LogP3.27
Rot. Bonds4

About 1-(5-bromo-2,3-difluorophenoxy)-2-methylbutan-2-ol

1-(5-bromo-2,3-difluorophenoxy)-2-methylbutan-2-ol (PubChem CID 107100783) has the molecular formula C11H13BrF2O2 and a molecular weight of 295.12 g/mol. Its IUPAC name is 1-(5-bromo-2,3-difluorophenoxy)-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-(5-bromo-2,3-difluorophenoxy)-2-methylbutan-2-ol
PubChem CID107100783
Molecular FormulaC11H13BrF2O2
Molecular Weight295.12 g/mol
Exact Mass294.01
IUPAC Name1-(5-bromo-2,3-difluorophenoxy)-2-methylbutan-2-ol
SMILESCCC(C)(O)COc1cc(Br)cc(F)c1F
InChIInChI=1S/C11H13BrF2O2/c1-3-11(2,15)6-16-9-5-7(12)4-8(13)10(9)14/h4-5,15H,3,6H2,1-2H3
InChIKeyRNLADGKXKBYZGS-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
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-(5-bromo-2,3-difluorophenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol
CID 107097942
1-(2,3-difluorophenoxy)-2-methylbutan-2-ol
CID 114496070
5-bromo-1-(3,3-dimethylbutoxy)-2,3-difluorobenzene
CID 107098584
1-(5-bromo-2,3-difluorophenoxy)-3-methoxypropan-2-one
CID 107508257
1-(2,5-dibromo-4-methoxyphenoxy)-2-methylbutan-2-ol
CID 114496104
2-(5-bromo-2,3-difluorophenoxy)ethanethioamide
CID 107098426
5-bromo-1-decoxy-2,3-difluorobenzene
CID 107098815
1-[2-fluoro-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol
CID 107686628
5-bromo-1,2-difluoro-3-(3,3,3-trifluoropropoxy)benzene
CID 107098938
1-(5-bromo-2-fluorophenoxy)-2-methylpropan-2-ol
CID 99716802
2-(5-bromo-2,3-difluorophenoxy)ethanimidamide
CID 107099812
5-bromo-1,2-difluoro-3-[(4-propylcyclohexyl)methoxy]benzene
CID 134464969

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2,3-difluorophenoxy)-2-methylbutan-2-ol?
The IUPAC name of 1-(5-bromo-2,3-difluorophenoxy)-2-methylbutan-2-ol (CID 107100783) is 1-(5-bromo-2,3-difluorophenoxy)-2-methylbutan-2-ol.
What is the SMILES notation for 1-(5-bromo-2,3-difluorophenoxy)-2-methylbutan-2-ol?
The canonical SMILES for 1-(5-bromo-2,3-difluorophenoxy)-2-methylbutan-2-ol is CCC(C)(O)COc1cc(Br)cc(F)c1F.
What is the InChIKey of 1-(5-bromo-2,3-difluorophenoxy)-2-methylbutan-2-ol?
The InChIKey is RNLADGKXKBYZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF2O2/c1-3-11(2,15)6-16-9-5-7(12)4-8(13)10(9)14/h4-5,15H,3,6H2,1-2H3.
What are the key properties of 1-(5-bromo-2,3-difluorophenoxy)-2-methylbutan-2-ol?
1-(5-bromo-2,3-difluorophenoxy)-2-methylbutan-2-ol has a molecular weight of 295.12 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2,3-difluorophenoxy)-2-methylbutan-2-ol is sourced from PubChem (CID 107100783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).