5-(difluoromethyl)-7-iodo-1-benzothiophen-2-amine

C9H6F2INS — CID 130866163

IUPAC5-(difluoromethyl)-7-iodo-1-benzothiophen-2-amine
SMILESNc1cc2cc(C(F)F)cc(I)c2s1
InChIInChI=1S/C9H6F2INS/c10-9(11)5-1-4-3-7(13)14-8(4)6(12)2-5/h1-3,9H,13H2
InChIKeyFOVJGMHQEFMBOX-UHFFFAOYSA-N
MW325.12 g/mol
LogP4.03
Rot. Bonds1

About 5-(difluoromethyl)-7-iodo-1-benzothiophen-2-amine

5-(difluoromethyl)-7-iodo-1-benzothiophen-2-amine (PubChem CID 130866163) has the molecular formula C9H6F2INS and a molecular weight of 325.12 g/mol. Its IUPAC name is 5-(difluoromethyl)-7-iodo-1-benzothiophen-2-amine.

Molecular Properties

Compound Name5-(difluoromethyl)-7-iodo-1-benzothiophen-2-amine
PubChem CID130866163
Molecular FormulaC9H6F2INS
Molecular Weight325.12 g/mol
Exact Mass324.92
IUPAC Name5-(difluoromethyl)-7-iodo-1-benzothiophen-2-amine
SMILESNc1cc2cc(C(F)F)cc(I)c2s1
InChIInChI=1S/C9H6F2INS/c10-9(11)5-1-4-3-7(13)14-8(4)6(12)2-5/h1-3,9H,13H2
InChIKeyFOVJGMHQEFMBOX-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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-(difluoromethyl)-7-methyl-1-benzothiophen-2-amine
CID 130884100
7-fluoro-6-iodo-1-benzothiophen-2-amine
CID 130878508
7-bromo-6-iodo-1-benzothiophen-2-amine
CID 131091670
6-fluoro-5-iodo-1-benzothiophen-2-amine
CID 130788727
7-(difluoromethyl)-1-benzothiophene-2,4-diamine
CID 130803243
2-bromo-5-(difluoromethyl)-1-iodo-3-methylbenzene
CID 171033403
(5-amino-7-iodo-1-benzothiophen-2-yl)methanol
CID 131014314
2-(2-amino-6-iodo-1-benzothiophen-7-yl)acetonitrile
CID 130898438
(2-amino-7-iodo-1-benzothiophen-6-yl)methanol
CID 131034404
7-methyl-5-methylsulfanyl-1-benzothiophen-2-amine
CID 131014208
2-fluoro-7-iodo-5-methylsulfanyl-1-benzothiophene
CID 130913448
7-methylthieno[3,2-g][1]benzothiol-2-amine
CID 129228320

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-7-iodo-1-benzothiophen-2-amine?
The IUPAC name of 5-(difluoromethyl)-7-iodo-1-benzothiophen-2-amine (CID 130866163) is 5-(difluoromethyl)-7-iodo-1-benzothiophen-2-amine.
What is the SMILES notation for 5-(difluoromethyl)-7-iodo-1-benzothiophen-2-amine?
The canonical SMILES for 5-(difluoromethyl)-7-iodo-1-benzothiophen-2-amine is Nc1cc2cc(C(F)F)cc(I)c2s1.
What is the InChIKey of 5-(difluoromethyl)-7-iodo-1-benzothiophen-2-amine?
The InChIKey is FOVJGMHQEFMBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2INS/c10-9(11)5-1-4-3-7(13)14-8(4)6(12)2-5/h1-3,9H,13H2.
What are the key properties of 5-(difluoromethyl)-7-iodo-1-benzothiophen-2-amine?
5-(difluoromethyl)-7-iodo-1-benzothiophen-2-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 5-(difluoromethyl)-7-iodo-1-benzothiophen-2-amine is sourced from PubChem (CID 130866163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).