(3-bromo-2-fluoro-1-benzothiophen-7-yl)methanol

C9H6BrFOS — CID 130805667

IUPAC(3-bromo-2-fluoro-1-benzothiophen-7-yl)methanol
SMILESOCc1cccc2c(Br)c(F)sc12
InChIInChI=1S/C9H6BrFOS/c10-7-6-3-1-2-5(4-12)8(6)13-9(7)11/h1-3,12H,4H2
InChIKeyQGLOPBGCURCEQS-UHFFFAOYSA-N
MW261.12 g/mol
LogP3.30
Rot. Bonds1

About (3-bromo-2-fluoro-1-benzothiophen-7-yl)methanol

(3-bromo-2-fluoro-1-benzothiophen-7-yl)methanol (PubChem CID 130805667) has the molecular formula C9H6BrFOS and a molecular weight of 261.12 g/mol. Its IUPAC name is (3-bromo-2-fluoro-1-benzothiophen-7-yl)methanol.

Molecular Properties

Compound Name(3-bromo-2-fluoro-1-benzothiophen-7-yl)methanol
PubChem CID130805667
Molecular FormulaC9H6BrFOS
Molecular Weight261.12 g/mol
Exact Mass259.93
IUPAC Name(3-bromo-2-fluoro-1-benzothiophen-7-yl)methanol
SMILESOCc1cccc2c(Br)c(F)sc12
InChIInChI=1S/C9H6BrFOS/c10-7-6-3-1-2-5(4-12)8(6)13-9(7)11/h1-3,12H,4H2
InChIKeyQGLOPBGCURCEQS-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 ≤ 500261.12
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-2-fluoro-7-methylsulfanyl-1-benzothiophene
CID 131075795
3-bromo-7-(bromomethyl)-2-iodo-1-benzothiophene
CID 130969225
(2-iodo-3-methyl-1-benzothiophen-7-yl)methanol
CID 130914800
3-bromo-7-ethyl-2-methoxy-1-benzothiophene
CID 130785943
2-(3-bromo-2-methyl-1-benzothiophen-7-yl)acetaldehyde
CID 87714844
(7-bromo-1-benzothiophen-3-yl)methanol
CID 81142228
(10-bromoanthracen-1-yl)methanol
CID 13375398
7-bromo-3-(hydroxymethyl)-1-benzothiophen-2-ol
CID 130969980
[3-(bromomethyl)-7-fluoro-1-benzothiophen-2-yl]methanol
CID 130839099
[4-(bromomethyl)-2-fluoro-1-benzothiophen-3-yl]methanol
CID 130792423
7-(bromomethyl)-2-ethyl-3-fluoro-1-benzothiophene
CID 131146368
(7-ethyl-2-fluoro-1-benzothiophen-4-yl)methanol
CID 131097075

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluoro-1-benzothiophen-7-yl)methanol?
The IUPAC name of (3-bromo-2-fluoro-1-benzothiophen-7-yl)methanol (CID 130805667) is (3-bromo-2-fluoro-1-benzothiophen-7-yl)methanol.
What is the SMILES notation for (3-bromo-2-fluoro-1-benzothiophen-7-yl)methanol?
The canonical SMILES for (3-bromo-2-fluoro-1-benzothiophen-7-yl)methanol is OCc1cccc2c(Br)c(F)sc12.
What is the InChIKey of (3-bromo-2-fluoro-1-benzothiophen-7-yl)methanol?
The InChIKey is QGLOPBGCURCEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFOS/c10-7-6-3-1-2-5(4-12)8(6)13-9(7)11/h1-3,12H,4H2.
What are the key properties of (3-bromo-2-fluoro-1-benzothiophen-7-yl)methanol?
(3-bromo-2-fluoro-1-benzothiophen-7-yl)methanol has a molecular weight of 261.12 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 (3-bromo-2-fluoro-1-benzothiophen-7-yl)methanol is sourced from PubChem (CID 130805667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).