4-amino-5-(difluoromethyl)-1-benzothiophen-6-ol

C9H7F2NOS — CID 130914501

IUPAC4-amino-5-(difluoromethyl)-1-benzothiophen-6-ol
SMILESNc1c(C(F)F)c(O)cc2sccc12
InChIInChI=1S/C9H7F2NOS/c10-9(11)7-5(13)3-6-4(8(7)12)1-2-14-6/h1-3,9,13H,12H2
InChIKeyHUTKLGRKDVVDIO-UHFFFAOYSA-N
MW215.22 g/mol
LogP3.13
Rot. Bonds1

About 4-amino-5-(difluoromethyl)-1-benzothiophen-6-ol

4-amino-5-(difluoromethyl)-1-benzothiophen-6-ol (PubChem CID 130914501) has the molecular formula C9H7F2NOS and a molecular weight of 215.22 g/mol. Its IUPAC name is 4-amino-5-(difluoromethyl)-1-benzothiophen-6-ol.

Molecular Properties

Compound Name4-amino-5-(difluoromethyl)-1-benzothiophen-6-ol
PubChem CID130914501
Molecular FormulaC9H7F2NOS
Molecular Weight215.22 g/mol
Exact Mass215.02
IUPAC Name4-amino-5-(difluoromethyl)-1-benzothiophen-6-ol
SMILESNc1c(C(F)F)c(O)cc2sccc12
InChIInChI=1S/C9H7F2NOS/c10-9(11)7-5(13)3-6-4(8(7)12)1-2-14-6/h1-3,9,13H,12H2
InChIKeyHUTKLGRKDVVDIO-UHFFFAOYSA-N
XLogP3.13
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-5-sulfanyl-1-benzothiophen-6-ol
CID 130971922
5-amino-4-bromo-1-benzothiophen-6-ol
CID 130941897
6-amino-1-benzothiophene-4,5-diol
CID 84657940
4-iodo-1-benzothiophene-5,6-diol
CID 131034090
[4-amino-5-(chloromethyl)-1-benzothiophen-6-yl]methanol
CID 130803320
(4-amino-5-ethyl-1-benzothiophen-6-yl)methanol
CID 130971765
5-amino-4-hydroxy-1-benzothiophene-6-carbaldehyde
CID 130788583
5-(hydroxymethyl)-1-benzothiophene-4,6-diol
CID 130969866
4-amino-6-iodo-1-benzothiophene-5-thiol
CID 130821173
4-(difluoromethyl)-1-benzothiophene-6,7-diamine
CID 130884046
4-(hydroxymethyl)-5-sulfanyl-1-benzothiophen-6-ol
CID 131057551
4-bromo-6-(difluoromethyl)-1-benzothiophen-7-ol
CID 130839261

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(difluoromethyl)-1-benzothiophen-6-ol?
The IUPAC name of 4-amino-5-(difluoromethyl)-1-benzothiophen-6-ol (CID 130914501) is 4-amino-5-(difluoromethyl)-1-benzothiophen-6-ol.
What is the SMILES notation for 4-amino-5-(difluoromethyl)-1-benzothiophen-6-ol?
The canonical SMILES for 4-amino-5-(difluoromethyl)-1-benzothiophen-6-ol is Nc1c(C(F)F)c(O)cc2sccc12.
What is the InChIKey of 4-amino-5-(difluoromethyl)-1-benzothiophen-6-ol?
The InChIKey is HUTKLGRKDVVDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2NOS/c10-9(11)7-5(13)3-6-4(8(7)12)1-2-14-6/h1-3,9,13H,12H2.
What are the key properties of 4-amino-5-(difluoromethyl)-1-benzothiophen-6-ol?
4-amino-5-(difluoromethyl)-1-benzothiophen-6-ol has a molecular weight of 215.22 g/mol, XLogP of 3.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(difluoromethyl)-1-benzothiophen-6-ol is sourced from PubChem (CID 130914501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).