7-(difluoromethyl)-4-iodo-5-methyl-1-benzothiophene

C10H7F2IS — CID 131215693

IUPAC7-(difluoromethyl)-4-iodo-5-methyl-1-benzothiophene
SMILESCc1cc(C(F)F)c2sccc2c1I
InChIInChI=1S/C10H7F2IS/c1-5-4-7(10(11)12)9-6(8(5)13)2-3-14-9/h2-4,10H,1H3
InChIKeyXPOKEJBHEMGSLL-UHFFFAOYSA-N
MW324.13 g/mol
LogP4.75
Rot. Bonds1

About 7-(difluoromethyl)-4-iodo-5-methyl-1-benzothiophene

7-(difluoromethyl)-4-iodo-5-methyl-1-benzothiophene (PubChem CID 131215693) has the molecular formula C10H7F2IS and a molecular weight of 324.13 g/mol. Its IUPAC name is 7-(difluoromethyl)-4-iodo-5-methyl-1-benzothiophene.

Molecular Properties

Compound Name7-(difluoromethyl)-4-iodo-5-methyl-1-benzothiophene
PubChem CID131215693
Molecular FormulaC10H7F2IS
Molecular Weight324.13 g/mol
Exact Mass323.93
IUPAC Name7-(difluoromethyl)-4-iodo-5-methyl-1-benzothiophene
SMILESCc1cc(C(F)F)c2sccc2c1I
InChIInChI=1S/C10H7F2IS/c1-5-4-7(10(11)12)9-6(8(5)13)2-3-14-9/h2-4,10H,1H3
InChIKeyXPOKEJBHEMGSLL-UHFFFAOYSA-N
XLogP4.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.13
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,7-diiodo-5-methyl-1-benzothiophene
CID 130805284
7-(difluoromethyl)-5-iodo-3-methyl-1-benzothiophene
CID 131030950
4-bromo-6-(difluoromethyl)-1-benzothiophen-7-ol
CID 130839261
7-chloro-4-(difluoromethyl)-5-methyl-1-benzothiophene
CID 131053830
4-bromo-6-(difluoromethyl)-1-benzothiophene-7-thiol
CID 130855113
5-(difluoromethyl)-6,7-dimethyl-1-benzothiophene
CID 130971820
4,19-dimethyl-8,15-dithiapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),6,11,14(18),16,19-nonaene
CID 122606200
4-(difluoromethyl)-1-benzothiophene-6,7-diamine
CID 130884046
4,7-dichloro-6-(difluoromethyl)-1-benzothiophene
CID 130785826
5-fluoro-4,7-diiodo-1-benzothiophene
CID 130788097
7-ethoxy-6-iodo-5-methyl-1-benzothiophene
CID 131002181
7-(difluoromethyl)-3-methyl-1-benzothiophen-5-amine
CID 131076036

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-4-iodo-5-methyl-1-benzothiophene?
The IUPAC name of 7-(difluoromethyl)-4-iodo-5-methyl-1-benzothiophene (CID 131215693) is 7-(difluoromethyl)-4-iodo-5-methyl-1-benzothiophene.
What is the SMILES notation for 7-(difluoromethyl)-4-iodo-5-methyl-1-benzothiophene?
The canonical SMILES for 7-(difluoromethyl)-4-iodo-5-methyl-1-benzothiophene is Cc1cc(C(F)F)c2sccc2c1I.
What is the InChIKey of 7-(difluoromethyl)-4-iodo-5-methyl-1-benzothiophene?
The InChIKey is XPOKEJBHEMGSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2IS/c1-5-4-7(10(11)12)9-6(8(5)13)2-3-14-9/h2-4,10H,1H3.
What are the key properties of 7-(difluoromethyl)-4-iodo-5-methyl-1-benzothiophene?
7-(difluoromethyl)-4-iodo-5-methyl-1-benzothiophene has a molecular weight of 324.13 g/mol, XLogP of 4.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-4-iodo-5-methyl-1-benzothiophene is sourced from PubChem (CID 131215693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).