(2,5-dibromophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol

C15H9Br2FOS — CID 81104668

IUPAC(2,5-dibromophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol
SMILESOC(c1cc2ccc(F)cc2s1)c1cc(Br)ccc1Br
InChIInChI=1S/C15H9Br2FOS/c16-9-2-4-12(17)11(6-9)15(19)14-5-8-1-3-10(18)7-13(8)20-14/h1-7,15,19H
InChIKeyUCNVENHRXVNLPX-UHFFFAOYSA-N
MW416.11 g/mol
LogP5.65
Rot. Bonds2

About (2,5-dibromophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol

(2,5-dibromophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol (PubChem CID 81104668) has the molecular formula C15H9Br2FOS and a molecular weight of 416.11 g/mol. Its IUPAC name is (2,5-dibromophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol.

Molecular Properties

Compound Name(2,5-dibromophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol
PubChem CID81104668
Molecular FormulaC15H9Br2FOS
Molecular Weight416.11 g/mol
Exact Mass413.87
IUPAC Name(2,5-dibromophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol
SMILESOC(c1cc2ccc(F)cc2s1)c1cc(Br)ccc1Br
InChIInChI=1S/C15H9Br2FOS/c16-9-2-4-12(17)11(6-9)15(19)14-5-8-1-3-10(18)7-13(8)20-14/h1-7,15,19H
InChIKeyUCNVENHRXVNLPX-UHFFFAOYSA-N
XLogP5.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.11
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-fluorophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol
CID 115820659
2-[bromo-(2,5-dibromophenyl)methyl]-6-fluoro-1-benzothiophene
CID 81104395
(4-bromophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol
CID 81104251
(3-bromo-2,6-difluorophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol
CID 106945171
(2,4-difluoro-5-methylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol
CID 81105622
2-[(5-bromo-2-methoxyphenyl)-chloromethyl]-6-fluoro-1-benzothiophene
CID 81105626
(2-bromo-5-fluorophenyl)-(5-bromothiophen-2-yl)methanol
CID 61081150
(2-ethoxyphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol
CID 115795636
2-[bromo-(3-bromo-4-fluorophenyl)methyl]-6-fluoro-1-benzothiophene
CID 81105092
2-(4-bromo-2-fluorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanamine
CID 115844575
(3S)-3-(6-fluoro-1-benzothiophen-2-yl)-3-hydroxypropanenitrile
CID 166011878
1-(6-fluoro-1-benzothiophen-2-yl)prop-2-ynylhydrazine
CID 105315537

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol?
The IUPAC name of (2,5-dibromophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol (CID 81104668) is (2,5-dibromophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol.
What is the SMILES notation for (2,5-dibromophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol?
The canonical SMILES for (2,5-dibromophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol is OC(c1cc2ccc(F)cc2s1)c1cc(Br)ccc1Br.
What is the InChIKey of (2,5-dibromophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol?
The InChIKey is UCNVENHRXVNLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Br2FOS/c16-9-2-4-12(17)11(6-9)15(19)14-5-8-1-3-10(18)7-13(8)20-14/h1-7,15,19H.
What are the key properties of (2,5-dibromophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol?
(2,5-dibromophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol has a molecular weight of 416.11 g/mol, XLogP of 5.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol is sourced from PubChem (CID 81104668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).