(5-bromo-2-fluorophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol

C15H9BrF2OS — CID 115820659

IUPAC(5-bromo-2-fluorophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol
SMILESOC(c1cc2ccc(F)cc2s1)c1cc(Br)ccc1F
InChIInChI=1S/C15H9BrF2OS/c16-9-2-4-12(18)11(6-9)15(19)14-5-8-1-3-10(17)7-13(8)20-14/h1-7,15,19H
InChIKeyWYDOWTVJJFHXCV-UHFFFAOYSA-N
MW355.20 g/mol
LogP5.02
Rot. Bonds2

About (5-bromo-2-fluorophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol

(5-bromo-2-fluorophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol (PubChem CID 115820659) has the molecular formula C15H9BrF2OS and a molecular weight of 355.20 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol
PubChem CID115820659
Molecular FormulaC15H9BrF2OS
Molecular Weight355.20 g/mol
Exact Mass353.95
IUPAC Name(5-bromo-2-fluorophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol
SMILESOC(c1cc2ccc(F)cc2s1)c1cc(Br)ccc1F
InChIInChI=1S/C15H9BrF2OS/c16-9-2-4-12(18)11(6-9)15(19)14-5-8-1-3-10(17)7-13(8)20-14/h1-7,15,19H
InChIKeyWYDOWTVJJFHXCV-UHFFFAOYSA-N
XLogP5.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.20
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dibromophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol
CID 81104668
(4-bromophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol
CID 81104251
(2,4-difluoro-5-methylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol
CID 81105622
2-[bromo-(2,5-dibromophenyl)methyl]-6-fluoro-1-benzothiophene
CID 81104395
(3-bromo-2,6-difluorophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol
CID 106945171
(5-bromo-2-fluorophenyl)-(4-bromothiophen-2-yl)methanol
CID 79742828
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
2-[(5-bromo-2-methoxyphenyl)-chloromethyl]-6-fluoro-1-benzothiophene
CID 81105626
(2-ethoxyphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol
CID 115795636
(5-bromo-2-fluorophenyl)-(3-fluorophenyl)methanol
CID 63893368
(3S)-3-(6-fluoro-1-benzothiophen-2-yl)-3-hydroxypropanenitrile
CID 166011878

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol?
The IUPAC name of (5-bromo-2-fluorophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol (CID 115820659) is (5-bromo-2-fluorophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol is OC(c1cc2ccc(F)cc2s1)c1cc(Br)ccc1F.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol?
The InChIKey is WYDOWTVJJFHXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrF2OS/c16-9-2-4-12(18)11(6-9)15(19)14-5-8-1-3-10(17)7-13(8)20-14/h1-7,15,19H.
What are the key properties of (5-bromo-2-fluorophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol?
(5-bromo-2-fluorophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol has a molecular weight of 355.20 g/mol, XLogP of 5.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol is sourced from PubChem (CID 115820659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).