2-(fluoromethyl)-1-benzothiophen-4-ol

C9H7FOS — CID 84658438

IUPAC2-(fluoromethyl)-1-benzothiophen-4-ol
SMILESOc1cccc2sc(CF)cc12
InChIInChI=1S/C9H7FOS/c10-5-6-4-7-8(11)2-1-3-9(7)12-6/h1-4,11H,5H2
InChIKeyFNBYKAUYUKEPTO-UHFFFAOYSA-N
MW182.22 g/mol
LogP3.08
Rot. Bonds1

About 2-(fluoromethyl)-1-benzothiophen-4-ol

2-(fluoromethyl)-1-benzothiophen-4-ol (PubChem CID 84658438) has the molecular formula C9H7FOS and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-(fluoromethyl)-1-benzothiophen-4-ol.

Molecular Properties

Compound Name2-(fluoromethyl)-1-benzothiophen-4-ol
PubChem CID84658438
Molecular FormulaC9H7FOS
Molecular Weight182.22 g/mol
Exact Mass182.02
IUPAC Name2-(fluoromethyl)-1-benzothiophen-4-ol
SMILESOc1cccc2sc(CF)cc12
InChIInChI=1S/C9H7FOS/c10-5-6-4-7-8(11)2-1-3-9(7)12-6/h1-4,11H,5H2
InChIKeyFNBYKAUYUKEPTO-UHFFFAOYSA-N
XLogP3.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(fluoromethyl)-1-benzothiophene
CID 119085404
2-(1,1-difluoroethyl)-1-benzothiophen-4-ol
CID 84680280
2-phenyl-1-benzothiophen-4-ol
CID 154289453
4-hydroxy-1-benzothiophene-2-carboxylic acid
CID 84665318
1-(4-fluoro-1-benzothiophen-2-yl)propan-2-one
CID 117194420
2-(2-hydroxypropan-2-yl)-1-benzothiophen-4-ol
CID 117120063
(4-bromo-1-benzothiophen-2-yl)methanol
CID 13466536
1-(4-fluoro-1-benzothiophen-2-yl)propan-2-ol
CID 117120021
2-[(4-methyl-1-benzothiophen-2-yl)methoxy]phenol
CID 117184783
3-(4-fluoro-1-benzothiophen-2-yl)propan-1-amine
CID 117120043
2-ethyl-4-iodo-1-benzothiophene
CID 135322307
4-[(4-hydroxy-1-benzothiophen-2-yl)methyl]-5,5-dimethylpiperazin-2-one;2,2,2-trifluoroacetic acid
CID 167969845

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-1-benzothiophen-4-ol?
The IUPAC name of 2-(fluoromethyl)-1-benzothiophen-4-ol (CID 84658438) is 2-(fluoromethyl)-1-benzothiophen-4-ol.
What is the SMILES notation for 2-(fluoromethyl)-1-benzothiophen-4-ol?
The canonical SMILES for 2-(fluoromethyl)-1-benzothiophen-4-ol is Oc1cccc2sc(CF)cc12.
What is the InChIKey of 2-(fluoromethyl)-1-benzothiophen-4-ol?
The InChIKey is FNBYKAUYUKEPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FOS/c10-5-6-4-7-8(11)2-1-3-9(7)12-6/h1-4,11H,5H2.
What are the key properties of 2-(fluoromethyl)-1-benzothiophen-4-ol?
2-(fluoromethyl)-1-benzothiophen-4-ol has a molecular weight of 182.22 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-1-benzothiophen-4-ol is sourced from PubChem (CID 84658438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).