7-(difluoromethyl)-2-fluoro-1-benzothiophen-6-amine

C9H6F3NS — CID 131215588

IUPAC7-(difluoromethyl)-2-fluoro-1-benzothiophen-6-amine
SMILESNc1ccc2cc(F)sc2c1C(F)F
InChIInChI=1S/C9H6F3NS/c10-6-3-4-1-2-5(13)7(9(11)12)8(4)14-6/h1-3,9H,13H2
InChIKeyMZKGUPIOTLZLSC-UHFFFAOYSA-N
MW217.22 g/mol
LogP3.56
Rot. Bonds1

About 7-(difluoromethyl)-2-fluoro-1-benzothiophen-6-amine

7-(difluoromethyl)-2-fluoro-1-benzothiophen-6-amine (PubChem CID 131215588) has the molecular formula C9H6F3NS and a molecular weight of 217.22 g/mol. Its IUPAC name is 7-(difluoromethyl)-2-fluoro-1-benzothiophen-6-amine.

Molecular Properties

Compound Name7-(difluoromethyl)-2-fluoro-1-benzothiophen-6-amine
PubChem CID131215588
Molecular FormulaC9H6F3NS
Molecular Weight217.22 g/mol
Exact Mass217.02
IUPAC Name7-(difluoromethyl)-2-fluoro-1-benzothiophen-6-amine
SMILESNc1ccc2cc(F)sc2c1C(F)F
InChIInChI=1S/C9H6F3NS/c10-6-3-4-1-2-5(13)7(9(11)12)8(4)14-6/h1-3,9H,13H2
InChIKeyMZKGUPIOTLZLSC-UHFFFAOYSA-N
XLogP3.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-(difluoromethyl)-2-fluoro-1-benzothiophen-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(difluoromethyl)-2-fluoro-7-methyl-1-benzothiophene
CID 130805528
7-fluoro-2-methoxy-1-benzothiophen-6-amine
CID 130956275
4-bromo-2-(difluoromethyl)-3-fluoroaniline
CID 175669840
7-(difluoromethyl)-2-fluoro-1-benzothiophene-5-thiol
CID 131191618
(7-amino-2-fluoro-1-benzothiophen-5-yl)methanol
CID 130788720
7-bromo-2-fluoro-1-benzothiophen-6-ol
CID 130854965
7-fluoro-6-iodo-1-benzothiophen-2-amine
CID 130878508
2,5,7-trifluoro-1-benzothiophene
CID 130786065
6-ethyl-2-fluoro-7-methyl-1-benzothiophene
CID 130985732
7-fluoro-1-propan-2-ylnaphthalen-2-amine
CID 115057667
7-(difluoromethyl)-1-benzothiophene-2,4-diamine
CID 130803243
2-(difluoromethyl)-7-fluoro-1-benzothiophene-6-thiol
CID 130803203

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-2-fluoro-1-benzothiophen-6-amine?
The IUPAC name of 7-(difluoromethyl)-2-fluoro-1-benzothiophen-6-amine (CID 131215588) is 7-(difluoromethyl)-2-fluoro-1-benzothiophen-6-amine.
What is the SMILES notation for 7-(difluoromethyl)-2-fluoro-1-benzothiophen-6-amine?
The canonical SMILES for 7-(difluoromethyl)-2-fluoro-1-benzothiophen-6-amine is Nc1ccc2cc(F)sc2c1C(F)F.
What is the InChIKey of 7-(difluoromethyl)-2-fluoro-1-benzothiophen-6-amine?
The InChIKey is MZKGUPIOTLZLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3NS/c10-6-3-4-1-2-5(13)7(9(11)12)8(4)14-6/h1-3,9H,13H2.
What are the key properties of 7-(difluoromethyl)-2-fluoro-1-benzothiophen-6-amine?
7-(difluoromethyl)-2-fluoro-1-benzothiophen-6-amine has a molecular weight of 217.22 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-2-fluoro-1-benzothiophen-6-amine is sourced from PubChem (CID 131215588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).