(7-fluoro-1,1-dioxo-1-benzothiophen-2-yl)methanol

C9H7FO3S — CID 117183111

IUPAC(7-fluoro-1,1-dioxo-1-benzothiophen-2-yl)methanol
SMILESO=S1(=O)C(CO)=Cc2cccc(F)c21
InChIInChI=1S/C9H7FO3S/c10-8-3-1-2-6-4-7(5-11)14(12,13)9(6)8/h1-4,11H,5H2
InChIKeyDKRFFWCWBGTEQS-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.95
Rot. Bonds1

About (7-fluoro-1,1-dioxo-1-benzothiophen-2-yl)methanol

(7-fluoro-1,1-dioxo-1-benzothiophen-2-yl)methanol (PubChem CID 117183111) has the molecular formula C9H7FO3S and a molecular weight of 214.22 g/mol. Its IUPAC name is (7-fluoro-1,1-dioxo-1-benzothiophen-2-yl)methanol.

Molecular Properties

Compound Name(7-fluoro-1,1-dioxo-1-benzothiophen-2-yl)methanol
PubChem CID117183111
Molecular FormulaC9H7FO3S
Molecular Weight214.22 g/mol
Exact Mass214.01
IUPAC Name(7-fluoro-1,1-dioxo-1-benzothiophen-2-yl)methanol
SMILESO=S1(=O)C(CO)=Cc2cccc(F)c21
InChIInChI=1S/C9H7FO3S/c10-8-3-1-2-6-4-7(5-11)14(12,13)9(6)8/h1-4,11H,5H2
InChIKeyDKRFFWCWBGTEQS-UHFFFAOYSA-N
XLogP0.95
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-fluoro-1,1-dioxo-1-benzothiophen-2-yl)acetaldehyde
CID 117196736
3-(7-fluoro-1,1-dioxo-1-benzothiophen-2-yl)propanoic acid
CID 117196795
3-(7-fluoro-1,1-dioxo-1-benzothiophen-2-yl)-2,2-dimethylpropanoic acid
CID 117196797
7-fluoro-2-[(4-methylphenoxy)methyl]-1-benzothiophene 1,1-dioxide
CID 117183055
1-(7-fluoro-1,1-dioxo-1-benzothiophen-2-yl)ethanone
CID 117196743
2-(7-bromo-1,1-dioxo-1-benzothiophen-2-yl)ethanamine
CID 117196774
(5-chloro-1,1-dioxo-1-benzothiophen-2-yl)methanol
CID 117121311
2-[(4-hydroxyphenoxy)methyl]-1,1-dioxo-1-benzothiophen-7-ol
CID 117183061
2-[(3-fluorophenoxy)methyl]-7-methyl-1-benzothiophene 1,1-dioxide
CID 117186407
N-[[7-(aminomethyl)-1,1-dioxo-1-benzothiophen-2-yl]methyl]cyclopentanamine
CID 117182931
(1,1-dioxo-1-benzothiophen-2-yl)methanethiol
CID 117172669
2-fluoro-6-(hydroxymethyl)benzoic acid
CID 46831349

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-1,1-dioxo-1-benzothiophen-2-yl)methanol?
The IUPAC name of (7-fluoro-1,1-dioxo-1-benzothiophen-2-yl)methanol (CID 117183111) is (7-fluoro-1,1-dioxo-1-benzothiophen-2-yl)methanol.
What is the SMILES notation for (7-fluoro-1,1-dioxo-1-benzothiophen-2-yl)methanol?
The canonical SMILES for (7-fluoro-1,1-dioxo-1-benzothiophen-2-yl)methanol is O=S1(=O)C(CO)=Cc2cccc(F)c21.
What is the InChIKey of (7-fluoro-1,1-dioxo-1-benzothiophen-2-yl)methanol?
The InChIKey is DKRFFWCWBGTEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FO3S/c10-8-3-1-2-6-4-7(5-11)14(12,13)9(6)8/h1-4,11H,5H2.
What are the key properties of (7-fluoro-1,1-dioxo-1-benzothiophen-2-yl)methanol?
(7-fluoro-1,1-dioxo-1-benzothiophen-2-yl)methanol has a molecular weight of 214.22 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-1,1-dioxo-1-benzothiophen-2-yl)methanol is sourced from PubChem (CID 117183111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).