6-(difluoromethyl)-3-iodo-1-benzothiophen-5-amine

C9H6F2INS — CID 130839743

IUPAC6-(difluoromethyl)-3-iodo-1-benzothiophen-5-amine
SMILESNc1cc2c(I)csc2cc1C(F)F
InChIInChI=1S/C9H6F2INS/c10-9(11)5-2-8-4(1-7(5)13)6(12)3-14-8/h1-3,9H,13H2
InChIKeyBMEGJBHAJCOFGR-UHFFFAOYSA-N
MW325.12 g/mol
LogP4.03
Rot. Bonds1

About 6-(difluoromethyl)-3-iodo-1-benzothiophen-5-amine

6-(difluoromethyl)-3-iodo-1-benzothiophen-5-amine (PubChem CID 130839743) has the molecular formula C9H6F2INS and a molecular weight of 325.12 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-iodo-1-benzothiophen-5-amine.

Molecular Properties

Compound Name6-(difluoromethyl)-3-iodo-1-benzothiophen-5-amine
PubChem CID130839743
Molecular FormulaC9H6F2INS
Molecular Weight325.12 g/mol
Exact Mass324.92
IUPAC Name6-(difluoromethyl)-3-iodo-1-benzothiophen-5-amine
SMILESNc1cc2c(I)csc2cc1C(F)F
InChIInChI=1S/C9H6F2INS/c10-9(11)5-2-8-4(1-7(5)13)6(12)3-14-8/h1-3,9H,13H2
InChIKeyBMEGJBHAJCOFGR-UHFFFAOYSA-N
XLogP4.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.12
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-5-iodo-1-benzothiophen-6-amine
CID 130788932
5-chloro-6-(difluoromethyl)-1-benzothiophene-3-thiol
CID 131146110
6-(difluoromethyl)-3-fluoro-1-benzothiophene-5-thiol
CID 130839684
6-(difluoromethyl)-3-fluoro-1-benzothiophen-5-ol
CID 130788372
6-(difluoromethyl)-5-fluoro-3-methyl-1-benzothiophene
CID 131033968
3-(difluoromethyl)-5,6-difluoro-1-benzothiophene
CID 131029323
5-amino-6-iodo-1-benzothiophene-3-carbaldehyde
CID 130816591
3-iodo-5-methylsulfanyl-1-benzothiophen-6-ol
CID 130942213
5-fluoro-3-iodo-6-methoxy-1-benzothiophene
CID 131169453
5-bromo-3-iodo-6-methoxy-1-benzothiophene
CID 130884034
6-bromo-3-(difluoromethyl)-1-benzothiophen-4-amine
CID 130941806
6-iodo-5-methyl-1-benzothiophen-3-amine
CID 130788969

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-iodo-1-benzothiophen-5-amine?
The IUPAC name of 6-(difluoromethyl)-3-iodo-1-benzothiophen-5-amine (CID 130839743) is 6-(difluoromethyl)-3-iodo-1-benzothiophen-5-amine.
What is the SMILES notation for 6-(difluoromethyl)-3-iodo-1-benzothiophen-5-amine?
The canonical SMILES for 6-(difluoromethyl)-3-iodo-1-benzothiophen-5-amine is Nc1cc2c(I)csc2cc1C(F)F.
What is the InChIKey of 6-(difluoromethyl)-3-iodo-1-benzothiophen-5-amine?
The InChIKey is BMEGJBHAJCOFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2INS/c10-9(11)5-2-8-4(1-7(5)13)6(12)3-14-8/h1-3,9H,13H2.
What are the key properties of 6-(difluoromethyl)-3-iodo-1-benzothiophen-5-amine?
6-(difluoromethyl)-3-iodo-1-benzothiophen-5-amine has a molecular weight of 325.12 g/mol, XLogP of 4.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-iodo-1-benzothiophen-5-amine is sourced from PubChem (CID 130839743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).