1-(5-bromo-6-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-ol

C12H12BrFO2 — CID 115410682

IUPAC1-(5-bromo-6-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-ol
SMILESCC(C)C(O)c1cc2cc(Br)c(F)cc2o1
InChIInChI=1S/C12H12BrFO2/c1-6(2)12(15)11-4-7-3-8(13)9(14)5-10(7)16-11/h3-6,12,15H,1-2H3
InChIKeyCYTLAMLGKIDFGQ-UHFFFAOYSA-N
MW287.13 g/mol
LogP4.02
Rot. Bonds2

About 1-(5-bromo-6-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-ol

1-(5-bromo-6-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-ol (PubChem CID 115410682) has the molecular formula C12H12BrFO2 and a molecular weight of 287.13 g/mol. Its IUPAC name is 1-(5-bromo-6-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-(5-bromo-6-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-ol
PubChem CID115410682
Molecular FormulaC12H12BrFO2
Molecular Weight287.13 g/mol
Exact Mass286.00
IUPAC Name1-(5-bromo-6-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-ol
SMILESCC(C)C(O)c1cc2cc(Br)c(F)cc2o1
InChIInChI=1S/C12H12BrFO2/c1-6(2)12(15)11-4-7-3-8(13)9(14)5-10(7)16-11/h3-6,12,15H,1-2H3
InChIKeyCYTLAMLGKIDFGQ-UHFFFAOYSA-N
XLogP4.02
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.13
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-6-fluoro-1-benzofuran-2-yl)butan-1-amine
CID 115410701
1-(5-bromo-6-fluoro-1-benzofuran-2-yl)-1-cyclopropyl-N-methylmethanamine
CID 113304928
1-(5-fluoro-1-benzofuran-2-yl)-2,3-dimethylbutan-1-ol
CID 115836618
5-bromo-6-fluoro-1-benzofuran-2-carbonitrile
CID 115410664
N-[(5-bromo-6-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine
CID 115410691
(1R)-1-(2-bromo-4-fluorophenyl)-2-methylpropan-1-ol
CID 130739633
2-methyl-1-(2,4,6-trifluorophenyl)propan-1-ol
CID 61087293
1-(5-bromo-1-benzofuran-2-yl)ethanol
CID 11276522
1-(7-bromo-5-fluoro-1-benzofuran-2-yl)ethanol
CID 65439372
1-benzofuran-2-yl-(2-bromo-6-fluorophenyl)methanol
CID 114885782
(1S)-1-(4-bromo-2-fluorophenyl)-2-methylpropan-1-ol
CID 129371245
1-(5,7-difluoro-1-benzofuran-2-yl)ethanol
CID 65438966

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-6-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-ol?
The IUPAC name of 1-(5-bromo-6-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-ol (CID 115410682) is 1-(5-bromo-6-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 1-(5-bromo-6-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-ol?
The canonical SMILES for 1-(5-bromo-6-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-ol is CC(C)C(O)c1cc2cc(Br)c(F)cc2o1.
What is the InChIKey of 1-(5-bromo-6-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-ol?
The InChIKey is CYTLAMLGKIDFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFO2/c1-6(2)12(15)11-4-7-3-8(13)9(14)5-10(7)16-11/h3-6,12,15H,1-2H3.
What are the key properties of 1-(5-bromo-6-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-ol?
1-(5-bromo-6-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-ol has a molecular weight of 287.13 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-6-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 115410682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).