(6,7-difluoro-1-benzothiophen-4-yl)methanol

C9H6F2OS — CID 130877241

IUPAC(6,7-difluoro-1-benzothiophen-4-yl)methanol
SMILESOCc1cc(F)c(F)c2sccc12
InChIInChI=1S/C9H6F2OS/c10-7-3-5(4-12)6-1-2-13-9(6)8(7)11/h1-3,12H,4H2
InChIKeyNIVUAEJMIKFJSE-UHFFFAOYSA-N
MW200.21 g/mol
LogP2.67
Rot. Bonds1

About (6,7-difluoro-1-benzothiophen-4-yl)methanol

(6,7-difluoro-1-benzothiophen-4-yl)methanol (PubChem CID 130877241) has the molecular formula C9H6F2OS and a molecular weight of 200.21 g/mol. Its IUPAC name is (6,7-difluoro-1-benzothiophen-4-yl)methanol.

Molecular Properties

Compound Name(6,7-difluoro-1-benzothiophen-4-yl)methanol
PubChem CID130877241
Molecular FormulaC9H6F2OS
Molecular Weight200.21 g/mol
Exact Mass200.01
IUPAC Name(6,7-difluoro-1-benzothiophen-4-yl)methanol
SMILESOCc1cc(F)c(F)c2sccc12
InChIInChI=1S/C9H6F2OS/c10-7-3-5(4-12)6-1-2-13-9(6)8(7)11/h1-3,12H,4H2
InChIKeyNIVUAEJMIKFJSE-UHFFFAOYSA-N
XLogP2.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(7-fluoro-4-methoxy-1-benzothiophen-5-yl)methanol
CID 131000571
(5-fluoro-4-methyl-1-benzothiophen-7-yl)methanol
CID 130987115
[4-(chloromethyl)-7-fluoro-1-benzothiophen-5-yl]methanol
CID 131146400
6,7-difluoro-4-iodo-1-benzothiophene
CID 130877264
7-(chloromethyl)-4,5-difluoro-1-benzothiophene
CID 130786097
6-(bromomethyl)-4-(hydroxymethyl)-1-benzothiophen-7-ol
CID 131053577
(6-amino-7-methylsulfanyl-1-benzothiophen-4-yl)methanol
CID 130987910
6,7-difluoro-1-benzothiophene-4-carbaldehyde
CID 130961010
(4-fluoro-7-methoxy-1-benzothiophen-5-yl)methanol
CID 130987107
[6-(chloromethyl)-7-iodo-1-benzothiophen-4-yl]methanol
CID 131014412
(7-ethyl-6-methyl-1-benzothiophen-4-yl)methanol
CID 131002417
[6-bromo-7-(chloromethyl)-1-benzothiophen-4-yl]methanol
CID 130820878

Frequently Asked Questions

What is the IUPAC name of (6,7-difluoro-1-benzothiophen-4-yl)methanol?
The IUPAC name of (6,7-difluoro-1-benzothiophen-4-yl)methanol (CID 130877241) is (6,7-difluoro-1-benzothiophen-4-yl)methanol.
What is the SMILES notation for (6,7-difluoro-1-benzothiophen-4-yl)methanol?
The canonical SMILES for (6,7-difluoro-1-benzothiophen-4-yl)methanol is OCc1cc(F)c(F)c2sccc12.
What is the InChIKey of (6,7-difluoro-1-benzothiophen-4-yl)methanol?
The InChIKey is NIVUAEJMIKFJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2OS/c10-7-3-5(4-12)6-1-2-13-9(6)8(7)11/h1-3,12H,4H2.
What are the key properties of (6,7-difluoro-1-benzothiophen-4-yl)methanol?
(6,7-difluoro-1-benzothiophen-4-yl)methanol has a molecular weight of 200.21 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-difluoro-1-benzothiophen-4-yl)methanol is sourced from PubChem (CID 130877241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).