1-(3-bromo-2,6-difluorophenyl)-3-methoxy-2-methylpropan-2-ol

C11H13BrF2O2 — CID 106265143

IUPAC1-(3-bromo-2,6-difluorophenyl)-3-methoxy-2-methylpropan-2-ol
SMILESCOCC(C)(O)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C11H13BrF2O2/c1-11(15,6-16-2)5-7-9(13)4-3-8(12)10(7)14/h3-4,15H,5-6H2,1-2H3
InChIKeyLHHHYKHBACONHS-UHFFFAOYSA-N
MW295.12 g/mol
LogP2.67
Rot. Bonds4

About 1-(3-bromo-2,6-difluorophenyl)-3-methoxy-2-methylpropan-2-ol

1-(3-bromo-2,6-difluorophenyl)-3-methoxy-2-methylpropan-2-ol (PubChem CID 106265143) has the molecular formula C11H13BrF2O2 and a molecular weight of 295.12 g/mol. Its IUPAC name is 1-(3-bromo-2,6-difluorophenyl)-3-methoxy-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(3-bromo-2,6-difluorophenyl)-3-methoxy-2-methylpropan-2-ol
PubChem CID106265143
Molecular FormulaC11H13BrF2O2
Molecular Weight295.12 g/mol
Exact Mass294.01
IUPAC Name1-(3-bromo-2,6-difluorophenyl)-3-methoxy-2-methylpropan-2-ol
SMILESCOCC(C)(O)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C11H13BrF2O2/c1-11(15,6-16-2)5-7-9(13)4-3-8(12)10(7)14/h3-4,15H,5-6H2,1-2H3
InChIKeyLHHHYKHBACONHS-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
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-(3-bromo-2,6-difluorophenyl)-3-(ethylamino)-2-methylpropan-2-ol
CID 106273667
1-(2,6-difluorophenyl)-3-methoxy-2-methylpropan-2-ol
CID 114930994
3-[(3-bromo-2,6-difluorophenyl)methyl]pentan-3-ol
CID 106265112
1-(3-bromo-2,6-difluorophenyl)-3-cyclobutyl-2-methylpropan-2-ol
CID 106265631
1-(3-bromo-2,6-difluorophenyl)-2-(2-fluorophenyl)propan-2-ol
CID 106265089
1-(3-bromo-2,6-difluorophenyl)-2-methyl-4-(2-methylpropylamino)butan-2-ol
CID 106273662
1-(3-bromo-2,6-difluorophenyl)-2-methylpentan-2-amine
CID 106273555
2-[(3-bromo-2,6-difluorophenyl)methyl]-3-ethoxy-2-methyl-3-oxopropanoic acid
CID 106273990
2-(aminomethyl)-3-(3-bromo-2,6-difluorophenyl)-2-methylpropan-1-ol
CID 106272229
2-[(3-bromo-2,6-difluorophenyl)methyl]-2-propylpropane-1,3-diol
CID 106273886
2-[(3-bromo-2,6-difluorophenyl)methyl]-2-ethylbutan-1-amine
CID 106271309
1-(3-bromo-2,6-difluorophenyl)-2-(furan-3-yl)propan-2-ol
CID 106265532

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-3-methoxy-2-methylpropan-2-ol?
The IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-3-methoxy-2-methylpropan-2-ol (CID 106265143) is 1-(3-bromo-2,6-difluorophenyl)-3-methoxy-2-methylpropan-2-ol.
What is the SMILES notation for 1-(3-bromo-2,6-difluorophenyl)-3-methoxy-2-methylpropan-2-ol?
The canonical SMILES for 1-(3-bromo-2,6-difluorophenyl)-3-methoxy-2-methylpropan-2-ol is COCC(C)(O)Cc1c(F)ccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2,6-difluorophenyl)-3-methoxy-2-methylpropan-2-ol?
The InChIKey is LHHHYKHBACONHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF2O2/c1-11(15,6-16-2)5-7-9(13)4-3-8(12)10(7)14/h3-4,15H,5-6H2,1-2H3.
What are the key properties of 1-(3-bromo-2,6-difluorophenyl)-3-methoxy-2-methylpropan-2-ol?
1-(3-bromo-2,6-difluorophenyl)-3-methoxy-2-methylpropan-2-ol has a molecular weight of 295.12 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,6-difluorophenyl)-3-methoxy-2-methylpropan-2-ol is sourced from PubChem (CID 106265143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).