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

C9H6F2INS — CID 130961225

IUPAC3-(difluoromethyl)-2-iodo-1-benzothiophen-5-amine
SMILESNc1ccc2sc(I)c(C(F)F)c2c1
InChIInChI=1S/C9H6F2INS/c10-8(11)7-5-3-4(13)1-2-6(5)14-9(7)12/h1-3,8H,13H2
InChIKeyUKEIFCLIYIMTCJ-UHFFFAOYSA-N
MW325.12 g/mol
LogP4.03
Rot. Bonds1

About 3-(difluoromethyl)-2-iodo-1-benzothiophen-5-amine

3-(difluoromethyl)-2-iodo-1-benzothiophen-5-amine (PubChem CID 130961225) has the molecular formula C9H6F2INS and a molecular weight of 325.12 g/mol. Its IUPAC name is 3-(difluoromethyl)-2-iodo-1-benzothiophen-5-amine.

Molecular Properties

Compound Name3-(difluoromethyl)-2-iodo-1-benzothiophen-5-amine
PubChem CID130961225
Molecular FormulaC9H6F2INS
Molecular Weight325.12 g/mol
Exact Mass324.92
IUPAC Name3-(difluoromethyl)-2-iodo-1-benzothiophen-5-amine
SMILESNc1ccc2sc(I)c(C(F)F)c2c1
InChIInChI=1S/C9H6F2INS/c10-8(11)7-5-3-4(13)1-2-6(5)14-9(7)12/h1-3,8H,13H2
InChIKeyUKEIFCLIYIMTCJ-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

2-bromo-3-(difluoromethyl)-1-benzothiophen-6-amine
CID 131091577
3-(difluoromethyl)-2-iodo-4-methyl-1-benzothiophene
CID 131060261
2-(chloromethyl)-3-iodo-1-benzothiophen-5-amine
CID 131190885
2-(difluoromethyl)-5-iodo-1-benzothiophen-3-amine
CID 130884051
2-(difluoromethyl)-4-iodo-1-benzothiophen-6-amine
CID 131030960
3-(difluoromethyl)-4-iodo-1-benzothiophen-2-amine
CID 130788534
2-[(8-aminodibenzothiophen-2-yl)-(2-hydroxyethyl)amino]ethanol
CID 68827014
2-chloro-3-(difluoromethyl)-5-methyl-1-benzothiophene
CID 130866334
7-chlorodibenzothiophen-2-amine
CID 21439881
2-(difluoromethyl)-3-iodo-1-benzothiophen-5-ol
CID 130985696
2,3,5-triiodo-1-benzothiophene
CID 130941786
benzene-1,4-diamine;9H-carbazole-3,6-diamine
CID 155092282

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-2-iodo-1-benzothiophen-5-amine?
The IUPAC name of 3-(difluoromethyl)-2-iodo-1-benzothiophen-5-amine (CID 130961225) is 3-(difluoromethyl)-2-iodo-1-benzothiophen-5-amine.
What is the SMILES notation for 3-(difluoromethyl)-2-iodo-1-benzothiophen-5-amine?
The canonical SMILES for 3-(difluoromethyl)-2-iodo-1-benzothiophen-5-amine is Nc1ccc2sc(I)c(C(F)F)c2c1.
What is the InChIKey of 3-(difluoromethyl)-2-iodo-1-benzothiophen-5-amine?
The InChIKey is UKEIFCLIYIMTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2INS/c10-8(11)7-5-3-4(13)1-2-6(5)14-9(7)12/h1-3,8H,13H2.
What are the key properties of 3-(difluoromethyl)-2-iodo-1-benzothiophen-5-amine?
3-(difluoromethyl)-2-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 3-(difluoromethyl)-2-iodo-1-benzothiophen-5-amine is sourced from PubChem (CID 130961225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).