3-(1-fluoroethyl)-1-benzothiophen-5-ol

C10H9FOS — CID 84666921

IUPAC3-(1-fluoroethyl)-1-benzothiophen-5-ol
SMILESCC(F)c1csc2ccc(O)cc12
InChIInChI=1S/C10H9FOS/c1-6(11)9-5-13-10-3-2-7(12)4-8(9)10/h2-6,12H,1H3
InChIKeyKGTGJOBNLLLRRI-UHFFFAOYSA-N
MW196.25 g/mol
LogP3.64
Rot. Bonds1

About 3-(1-fluoroethyl)-1-benzothiophen-5-ol

3-(1-fluoroethyl)-1-benzothiophen-5-ol (PubChem CID 84666921) has the molecular formula C10H9FOS and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-(1-fluoroethyl)-1-benzothiophen-5-ol.

Molecular Properties

Compound Name3-(1-fluoroethyl)-1-benzothiophen-5-ol
PubChem CID84666921
Molecular FormulaC10H9FOS
Molecular Weight196.25 g/mol
Exact Mass196.04
IUPAC Name3-(1-fluoroethyl)-1-benzothiophen-5-ol
SMILESCC(F)c1csc2ccc(O)cc12
InChIInChI=1S/C10H9FOS/c1-6(11)9-5-13-10-3-2-7(12)4-8(9)10/h2-6,12H,1H3
InChIKeyKGTGJOBNLLLRRI-UHFFFAOYSA-N
XLogP3.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-3-propan-2-yl-1-benzothiophene
CID 118151187
1-(5-fluoro-1-benzothiophen-3-yl)ethanamine
CID 117120717
3-(1-fluoroethyl)-1-methylindol-5-ol
CID 84664637
3-(aminomethyl)-1-benzothiophen-5-ol
CID 117120749
1-(5-fluoro-1-benzothiophen-3-yl)-N-methylethanamine
CID 117195555
2-(5-hydroxy-1-benzothiophen-3-yl)acetic acid
CID 27808
5-methoxy-3-methyl-1-benzothiophene;3-methyl-1-benzothiophen-5-ol
CID 159990701
3-(1-fluoroethyl)-1H-indol-6-ol
CID 84656821
2-(5-methoxy-1-benzothiophen-3-yl)propan-1-amine
CID 117120754
2-(5-chloro-1-benzothiophen-3-yl)propanoyl chloride
CID 119091237
1-(1-benzothiophen-3-yl)-2-methylpropan-1-amine
CID 43150910
6-(difluoromethyl)-3-fluoro-1-benzothiophen-5-ol
CID 130788372

Frequently Asked Questions

What is the IUPAC name of 3-(1-fluoroethyl)-1-benzothiophen-5-ol?
The IUPAC name of 3-(1-fluoroethyl)-1-benzothiophen-5-ol (CID 84666921) is 3-(1-fluoroethyl)-1-benzothiophen-5-ol.
What is the SMILES notation for 3-(1-fluoroethyl)-1-benzothiophen-5-ol?
The canonical SMILES for 3-(1-fluoroethyl)-1-benzothiophen-5-ol is CC(F)c1csc2ccc(O)cc12.
What is the InChIKey of 3-(1-fluoroethyl)-1-benzothiophen-5-ol?
The InChIKey is KGTGJOBNLLLRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FOS/c1-6(11)9-5-13-10-3-2-7(12)4-8(9)10/h2-6,12H,1H3.
What are the key properties of 3-(1-fluoroethyl)-1-benzothiophen-5-ol?
3-(1-fluoroethyl)-1-benzothiophen-5-ol has a molecular weight of 196.25 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-fluoroethyl)-1-benzothiophen-5-ol is sourced from PubChem (CID 84666921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).