4-chloro-5-(difluoromethyl)-1-benzothiophen-7-amine

C9H6ClF2NS — CID 130926303

IUPAC4-chloro-5-(difluoromethyl)-1-benzothiophen-7-amine
SMILESNc1cc(C(F)F)c(Cl)c2ccsc12
InChIInChI=1S/C9H6ClF2NS/c10-7-4-1-2-14-8(4)6(13)3-5(7)9(11)12/h1-3,9H,13H2
InChIKeyJHRCFQDKMSPTTA-UHFFFAOYSA-N
MW233.67 g/mol
LogP4.07
Rot. Bonds1

About 4-chloro-5-(difluoromethyl)-1-benzothiophen-7-amine

4-chloro-5-(difluoromethyl)-1-benzothiophen-7-amine (PubChem CID 130926303) has the molecular formula C9H6ClF2NS and a molecular weight of 233.67 g/mol. Its IUPAC name is 4-chloro-5-(difluoromethyl)-1-benzothiophen-7-amine.

Molecular Properties

Compound Name4-chloro-5-(difluoromethyl)-1-benzothiophen-7-amine
PubChem CID130926303
Molecular FormulaC9H6ClF2NS
Molecular Weight233.67 g/mol
Exact Mass232.99
IUPAC Name4-chloro-5-(difluoromethyl)-1-benzothiophen-7-amine
SMILESNc1cc(C(F)F)c(Cl)c2ccsc12
InChIInChI=1S/C9H6ClF2NS/c10-7-4-1-2-14-8(4)6(13)3-5(7)9(11)12/h1-3,9H,13H2
InChIKeyJHRCFQDKMSPTTA-UHFFFAOYSA-N
XLogP4.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.67
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-chloro-5-(difluoromethyl)-1-benzothiophen-7-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

4-(difluoromethyl)-1-benzothiophene-6,7-diamine
CID 130884046
4,7-dichloro-6-(difluoromethyl)-1-benzothiophene
CID 130785826
7-bromo-4-chloro-1-benzothiophen-5-amine
CID 130961119
4-chloro-7-methoxy-1-benzothiophen-5-amine
CID 131060040
5-chloro-4-methoxy-1-benzothiophen-7-amine
CID 130823667
7-chloro-5-(difluoromethyl)-1-benzothiophen-6-ol
CID 131034357
6-amino-7-chloro-1-benzothiophene-4-thiol
CID 130803456
4,5-dichloro-7-fluoro-1-benzothiophene
CID 131053718
4-chloro-1-benzothiophene-6,7-diamine
CID 131191037
4-chloro-7-ethoxy-5-methyl-1-benzothiophene
CID 130941817
5-chloro-4-(difluoromethyl)-1-benzothiophene-7-thiol
CID 130956720
4-bromo-6-(difluoromethyl)-1-benzothiophen-7-ol
CID 130839261

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(difluoromethyl)-1-benzothiophen-7-amine?
The IUPAC name of 4-chloro-5-(difluoromethyl)-1-benzothiophen-7-amine (CID 130926303) is 4-chloro-5-(difluoromethyl)-1-benzothiophen-7-amine.
What is the SMILES notation for 4-chloro-5-(difluoromethyl)-1-benzothiophen-7-amine?
The canonical SMILES for 4-chloro-5-(difluoromethyl)-1-benzothiophen-7-amine is Nc1cc(C(F)F)c(Cl)c2ccsc12.
What is the InChIKey of 4-chloro-5-(difluoromethyl)-1-benzothiophen-7-amine?
The InChIKey is JHRCFQDKMSPTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF2NS/c10-7-4-1-2-14-8(4)6(13)3-5(7)9(11)12/h1-3,9H,13H2.
What are the key properties of 4-chloro-5-(difluoromethyl)-1-benzothiophen-7-amine?
4-chloro-5-(difluoromethyl)-1-benzothiophen-7-amine has a molecular weight of 233.67 g/mol, XLogP of 4.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(difluoromethyl)-1-benzothiophen-7-amine is sourced from PubChem (CID 130926303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).