3-(difluoromethyl)-4-iodo-1-benzothiophen-2-amine

C9H6F2INS — CID 130788534

IUPAC3-(difluoromethyl)-4-iodo-1-benzothiophen-2-amine
SMILESNc1sc2cccc(I)c2c1C(F)F
InChIInChI=1S/C9H6F2INS/c10-8(11)7-6-4(12)2-1-3-5(6)14-9(7)13/h1-3,8H,13H2
InChIKeyQNBOQCMRZDPRKV-UHFFFAOYSA-N
MW325.12 g/mol
LogP4.03
Rot. Bonds1

About 3-(difluoromethyl)-4-iodo-1-benzothiophen-2-amine

3-(difluoromethyl)-4-iodo-1-benzothiophen-2-amine (PubChem CID 130788534) has the molecular formula C9H6F2INS and a molecular weight of 325.12 g/mol. Its IUPAC name is 3-(difluoromethyl)-4-iodo-1-benzothiophen-2-amine.

Molecular Properties

Compound Name3-(difluoromethyl)-4-iodo-1-benzothiophen-2-amine
PubChem CID130788534
Molecular FormulaC9H6F2INS
Molecular Weight325.12 g/mol
Exact Mass324.92
IUPAC Name3-(difluoromethyl)-4-iodo-1-benzothiophen-2-amine
SMILESNc1sc2cccc(I)c2c1C(F)F
InChIInChI=1S/C9H6F2INS/c10-8(11)7-6-4(12)2-1-3-5(6)14-9(7)13/h1-3,8H,13H2
InChIKeyQNBOQCMRZDPRKV-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

4-fluoro-3-iodo-1-benzothiophen-2-amine
CID 130788725
3-(difluoromethyl)-2-iodo-4-methyl-1-benzothiophene
CID 131060261
4-iodo-3-methyl-1-benzothiophen-2-ol
CID 130987143
3-(difluoromethyl)-2-iodo-1-benzothiophen-5-amine
CID 130961225
3-fluoro-4-iodo-1-benzothiophene-2-carbaldehyde
CID 131219098
7-iodo-1-benzothiophene-2,3-diamine
CID 131001187
3-fluoro-4-iodo-2-methoxy-1-benzothiophene
CID 131145524
2-amino-3-(bromomethyl)-1-benzothiophene-4-thiol
CID 130805162
2-iodo-3-methyl-1-benzothiophen-4-amine
CID 130788970
5-iodo-1H-[1]benzothiolo[2,3-b]pyridin-4-one
CID 167294920
3-methylsulfanyl-1-benzothiophene-2,4-diamine
CID 131145947
3-(hydroxymethyl)-4-iodo-1-benzothiophene-2-carbonitrile
CID 130971089

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-4-iodo-1-benzothiophen-2-amine?
The IUPAC name of 3-(difluoromethyl)-4-iodo-1-benzothiophen-2-amine (CID 130788534) is 3-(difluoromethyl)-4-iodo-1-benzothiophen-2-amine.
What is the SMILES notation for 3-(difluoromethyl)-4-iodo-1-benzothiophen-2-amine?
The canonical SMILES for 3-(difluoromethyl)-4-iodo-1-benzothiophen-2-amine is Nc1sc2cccc(I)c2c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-4-iodo-1-benzothiophen-2-amine?
The InChIKey is QNBOQCMRZDPRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2INS/c10-8(11)7-6-4(12)2-1-3-5(6)14-9(7)13/h1-3,8H,13H2.
What are the key properties of 3-(difluoromethyl)-4-iodo-1-benzothiophen-2-amine?
3-(difluoromethyl)-4-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 3-(difluoromethyl)-4-iodo-1-benzothiophen-2-amine is sourced from PubChem (CID 130788534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).