7-fluoro-3-(hydroxymethyl)-1-benzothiophene-2-carbaldehyde

C10H7FO2S — CID 131053614

IUPAC7-fluoro-3-(hydroxymethyl)-1-benzothiophene-2-carbaldehyde
SMILESO=Cc1sc2c(F)cccc2c1CO
InChIInChI=1S/C10H7FO2S/c11-8-3-1-2-6-7(4-12)9(5-13)14-10(6)8/h1-3,5,12H,4H2
InChIKeyMAVCVEKJLVBJOW-UHFFFAOYSA-N
MW210.23 g/mol
LogP2.35
Rot. Bonds2

About 7-fluoro-3-(hydroxymethyl)-1-benzothiophene-2-carbaldehyde

7-fluoro-3-(hydroxymethyl)-1-benzothiophene-2-carbaldehyde (PubChem CID 131053614) has the molecular formula C10H7FO2S and a molecular weight of 210.23 g/mol. Its IUPAC name is 7-fluoro-3-(hydroxymethyl)-1-benzothiophene-2-carbaldehyde.

Molecular Properties

Compound Name7-fluoro-3-(hydroxymethyl)-1-benzothiophene-2-carbaldehyde
PubChem CID131053614
Molecular FormulaC10H7FO2S
Molecular Weight210.23 g/mol
Exact Mass210.02
IUPAC Name7-fluoro-3-(hydroxymethyl)-1-benzothiophene-2-carbaldehyde
SMILESO=Cc1sc2c(F)cccc2c1CO
InChIInChI=1S/C10H7FO2S/c11-8-3-1-2-6-7(4-12)9(5-13)14-10(6)8/h1-3,5,12H,4H2
InChIKeyMAVCVEKJLVBJOW-UHFFFAOYSA-N
XLogP2.35
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

7-bromo-3-(hydroxymethyl)-1-benzothiophene-2-carbaldehyde
CID 130805674
7-fluoro-3-methyl-1-benzothiophene-2-carbaldehyde
CID 82374290
[3-(bromomethyl)-7-fluoro-1-benzothiophen-2-yl]methanol
CID 130839099
3-(1,3-dioxolan-2-yl)-7-fluoro-1-benzothiophene-2-carbaldehyde
CID 90062250
3-ethyl-7-methyl-1-benzothiophene-2-carbaldehyde
CID 131124494
2-amino-3-(hydroxymethyl)-1-benzothiophene-7-carbaldehyde
CID 130955844
7-fluoro-1-benzothiophene-3-carbaldehyde
CID 82374224
3-(4,6-difluorodibenzothiophen-3-yl)propanal
CID 170032157
3-ethyl-2-fluoro-1-benzothiophene-7-carbaldehyde
CID 131014402
4,7-difluoro-3-hydroxy-1-benzothiophene-2-carbaldehyde;ethane
CID 143669652
7-bromo-3-(hydroxymethyl)-1-benzothiophen-2-ol
CID 130969980
4-fluorothioxanthen-9-one
CID 54319807

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-(hydroxymethyl)-1-benzothiophene-2-carbaldehyde?
The IUPAC name of 7-fluoro-3-(hydroxymethyl)-1-benzothiophene-2-carbaldehyde (CID 131053614) is 7-fluoro-3-(hydroxymethyl)-1-benzothiophene-2-carbaldehyde.
What is the SMILES notation for 7-fluoro-3-(hydroxymethyl)-1-benzothiophene-2-carbaldehyde?
The canonical SMILES for 7-fluoro-3-(hydroxymethyl)-1-benzothiophene-2-carbaldehyde is O=Cc1sc2c(F)cccc2c1CO.
What is the InChIKey of 7-fluoro-3-(hydroxymethyl)-1-benzothiophene-2-carbaldehyde?
The InChIKey is MAVCVEKJLVBJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FO2S/c11-8-3-1-2-6-7(4-12)9(5-13)14-10(6)8/h1-3,5,12H,4H2.
What are the key properties of 7-fluoro-3-(hydroxymethyl)-1-benzothiophene-2-carbaldehyde?
7-fluoro-3-(hydroxymethyl)-1-benzothiophene-2-carbaldehyde has a molecular weight of 210.23 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-(hydroxymethyl)-1-benzothiophene-2-carbaldehyde is sourced from PubChem (CID 131053614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).