2-(fluoromethyl)-1-benzothiophen-5-ol

C9H7FOS — CID 84658440

IUPAC2-(fluoromethyl)-1-benzothiophen-5-ol
SMILESOc1ccc2sc(CF)cc2c1
InChIInChI=1S/C9H7FOS/c10-5-8-4-6-3-7(11)1-2-9(6)12-8/h1-4,11H,5H2
InChIKeyDBKUGZMJPDCJDA-UHFFFAOYSA-N
MW182.22 g/mol
LogP3.08
Rot. Bonds1

About 2-(fluoromethyl)-1-benzothiophen-5-ol

2-(fluoromethyl)-1-benzothiophen-5-ol (PubChem CID 84658440) has the molecular formula C9H7FOS and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-(fluoromethyl)-1-benzothiophen-5-ol.

Molecular Properties

Compound Name2-(fluoromethyl)-1-benzothiophen-5-ol
PubChem CID84658440
Molecular FormulaC9H7FOS
Molecular Weight182.22 g/mol
Exact Mass182.02
IUPAC Name2-(fluoromethyl)-1-benzothiophen-5-ol
SMILESOc1ccc2sc(CF)cc2c1
InChIInChI=1S/C9H7FOS/c10-5-8-4-6-3-7(11)1-2-9(6)12-8/h1-4,11H,5H2
InChIKeyDBKUGZMJPDCJDA-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-(4-Hydroxyphenyl)benzo(b)thiophen-6-ol
CID 445920
Benzo(b)thiophen-4-ol
CID 19217
Benzo(b)thiophene-3-ol
CID 10629
Benzo(b)thiophene-6-ol
CID 88004
Benzo[b]thiophen-5-ol
CID 12203499
2-Phenyl-1-benzothiophen-6-ol
CID 11117751
3-(5-Phenylthiophen-2-yl)phenol
CID 25093384
3,3'-Thiene-2,5-diyldiphenol
CID 25093387
2-Fluoro-4-(5-(3-hydroxyphenyl)-2-thienyl)phenol
CID 25192477
3-[5-(3-Fluorophenyl)-2-thienyl]phenol
CID 25192480
3-[5-(4-Fluorophenyl)-2-thienyl]phenol
CID 25192620
3-(Thiophen-2-YL)phenol
CID 3564196

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-1-benzothiophen-5-ol?
The IUPAC name of 2-(fluoromethyl)-1-benzothiophen-5-ol (CID 84658440) is 2-(fluoromethyl)-1-benzothiophen-5-ol.
What is the SMILES notation for 2-(fluoromethyl)-1-benzothiophen-5-ol?
The canonical SMILES for 2-(fluoromethyl)-1-benzothiophen-5-ol is Oc1ccc2sc(CF)cc2c1.
What is the InChIKey of 2-(fluoromethyl)-1-benzothiophen-5-ol?
The InChIKey is DBKUGZMJPDCJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FOS/c10-5-8-4-6-3-7(11)1-2-9(6)12-8/h1-4,11H,5H2.
What are the key properties of 2-(fluoromethyl)-1-benzothiophen-5-ol?
2-(fluoromethyl)-1-benzothiophen-5-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-5-ol is sourced from PubChem (CID 84658440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).