(6-bromo-3-fluoro-1-benzothiophen-4-yl)methanol

C9H6BrFOS — CID 130805825

IUPAC(6-bromo-3-fluoro-1-benzothiophen-4-yl)methanol
SMILESOCc1cc(Br)cc2scc(F)c12
InChIInChI=1S/C9H6BrFOS/c10-6-1-5(3-12)9-7(11)4-13-8(9)2-6/h1-2,4,12H,3H2
InChIKeyYHPOJRZVXHGKAS-UHFFFAOYSA-N
MW261.11 g/mol
LogP3.30
Rot. Bonds1

About (6-bromo-3-fluoro-1-benzothiophen-4-yl)methanol

(6-bromo-3-fluoro-1-benzothiophen-4-yl)methanol (PubChem CID 130805825) has the molecular formula C9H6BrFOS and a molecular weight of 261.11 g/mol. Its IUPAC name is (6-bromo-3-fluoro-1-benzothiophen-4-yl)methanol.

Molecular Properties

Compound Name(6-bromo-3-fluoro-1-benzothiophen-4-yl)methanol
PubChem CID130805825
Molecular FormulaC9H6BrFOS
Molecular Weight261.11 g/mol
Exact Mass259.93
IUPAC Name(6-bromo-3-fluoro-1-benzothiophen-4-yl)methanol
SMILESOCc1cc(Br)cc2scc(F)c12
InChIInChI=1S/C9H6BrFOS/c10-6-1-5(3-12)9-7(11)4-13-8(9)2-6/h1-2,4,12H,3H2
InChIKeyYHPOJRZVXHGKAS-UHFFFAOYSA-N
XLogP3.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.11
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-4-(hydroxymethyl)-1-benzothiophen-3-ol
CID 130970840
(3-fluoro-6-sulfanyl-1-benzothiophen-4-yl)methanol
CID 131000550
(4-fluoro-1-benzothiophen-3-yl)methanol
CID 117119260
(2-bromo-3,4,5-trifluorophenyl)methanol
CID 89016097
(6-methylsulfanyl-3-sulfanyl-1-benzothiophen-4-yl)methanol
CID 131057348
6-bromo-4-chloro-3-ethyl-1-benzothiophene
CID 131119385
5-bromo-7-ethyl-3-fluoro-1-benzothiophene
CID 130926140
(6-methyl-3-sulfanyl-1-benzothiophen-4-yl)methanol
CID 130961954
(6-chloro-3-methyl-1-benzothiophen-4-yl)methanol
CID 130884325
6-bromo-3-chloro-1-benzothiophen-4-ol
CID 130925677
[5-bromo-2-(3,4-difluorophenyl)sulfanylphenyl]methanol
CID 114062105
(3-bromo-5-methyl-1-benzothiophen-6-yl)methanol
CID 130870514

Frequently Asked Questions

What is the IUPAC name of (6-bromo-3-fluoro-1-benzothiophen-4-yl)methanol?
The IUPAC name of (6-bromo-3-fluoro-1-benzothiophen-4-yl)methanol (CID 130805825) is (6-bromo-3-fluoro-1-benzothiophen-4-yl)methanol.
What is the SMILES notation for (6-bromo-3-fluoro-1-benzothiophen-4-yl)methanol?
The canonical SMILES for (6-bromo-3-fluoro-1-benzothiophen-4-yl)methanol is OCc1cc(Br)cc2scc(F)c12.
What is the InChIKey of (6-bromo-3-fluoro-1-benzothiophen-4-yl)methanol?
The InChIKey is YHPOJRZVXHGKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFOS/c10-6-1-5(3-12)9-7(11)4-13-8(9)2-6/h1-2,4,12H,3H2.
What are the key properties of (6-bromo-3-fluoro-1-benzothiophen-4-yl)methanol?
(6-bromo-3-fluoro-1-benzothiophen-4-yl)methanol has a molecular weight of 261.11 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-3-fluoro-1-benzothiophen-4-yl)methanol is sourced from PubChem (CID 130805825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).