3-amino-2-(difluoromethyl)-1-benzothiophen-4-ol

C9H7F2NOS — CID 130884998

IUPAC3-amino-2-(difluoromethyl)-1-benzothiophen-4-ol
SMILESNc1c(C(F)F)sc2cccc(O)c12
InChIInChI=1S/C9H7F2NOS/c10-9(11)8-7(12)6-4(13)2-1-3-5(6)14-8/h1-3,9,13H,12H2
InChIKeyMGMJXPJTIMUDPS-UHFFFAOYSA-N
MW215.22 g/mol
LogP3.13
Rot. Bonds1

About 3-amino-2-(difluoromethyl)-1-benzothiophen-4-ol

3-amino-2-(difluoromethyl)-1-benzothiophen-4-ol (PubChem CID 130884998) has the molecular formula C9H7F2NOS and a molecular weight of 215.22 g/mol. Its IUPAC name is 3-amino-2-(difluoromethyl)-1-benzothiophen-4-ol.

Molecular Properties

Compound Name3-amino-2-(difluoromethyl)-1-benzothiophen-4-ol
PubChem CID130884998
Molecular FormulaC9H7F2NOS
Molecular Weight215.22 g/mol
Exact Mass215.02
IUPAC Name3-amino-2-(difluoromethyl)-1-benzothiophen-4-ol
SMILESNc1c(C(F)F)sc2cccc(O)c12
InChIInChI=1S/C9H7F2NOS/c10-9(11)8-7(12)6-4(13)2-1-3-5(6)14-8/h1-3,9,13H,12H2
InChIKeyMGMJXPJTIMUDPS-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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(difluoromethyl)-1-benzothiophen-4-ol?
The IUPAC name of 3-amino-2-(difluoromethyl)-1-benzothiophen-4-ol (CID 130884998) is 3-amino-2-(difluoromethyl)-1-benzothiophen-4-ol.
What is the SMILES notation for 3-amino-2-(difluoromethyl)-1-benzothiophen-4-ol?
The canonical SMILES for 3-amino-2-(difluoromethyl)-1-benzothiophen-4-ol is Nc1c(C(F)F)sc2cccc(O)c12.
What is the InChIKey of 3-amino-2-(difluoromethyl)-1-benzothiophen-4-ol?
The InChIKey is MGMJXPJTIMUDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2NOS/c10-9(11)8-7(12)6-4(13)2-1-3-5(6)14-8/h1-3,9,13H,12H2.
What are the key properties of 3-amino-2-(difluoromethyl)-1-benzothiophen-4-ol?
3-amino-2-(difluoromethyl)-1-benzothiophen-4-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 3-amino-2-(difluoromethyl)-1-benzothiophen-4-ol is sourced from PubChem (CID 130884998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).