2-iodo-3-methoxy-5-(trifluoromethyl)thiophene

C6H4F3IOS — CID 118630727

IUPAC2-iodo-3-methoxy-5-(trifluoromethyl)thiophene
SMILESCOc1cc(C(F)(F)F)sc1I
InChIInChI=1S/C6H4F3IOS/c1-11-3-2-4(6(7,8)9)12-5(3)10/h2H,1H3
InChIKeyNYMSUBLBZGACPK-UHFFFAOYSA-N
MW308.06 g/mol
LogP3.38
Rot. Bonds1

About 2-iodo-3-methoxy-5-(trifluoromethyl)thiophene

2-iodo-3-methoxy-5-(trifluoromethyl)thiophene (PubChem CID 118630727) has the molecular formula C6H4F3IOS and a molecular weight of 308.06 g/mol. Its IUPAC name is 2-iodo-3-methoxy-5-(trifluoromethyl)thiophene.

Molecular Properties

Compound Name2-iodo-3-methoxy-5-(trifluoromethyl)thiophene
PubChem CID118630727
Molecular FormulaC6H4F3IOS
Molecular Weight308.06 g/mol
Exact Mass307.90
IUPAC Name2-iodo-3-methoxy-5-(trifluoromethyl)thiophene
SMILESCOc1cc(C(F)(F)F)sc1I
InChIInChI=1S/C6H4F3IOS/c1-11-3-2-4(6(7,8)9)12-5(3)10/h2H,1H3
InChIKeyNYMSUBLBZGACPK-UHFFFAOYSA-N
XLogP3.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.06
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-3-methoxy-5-(trifluoromethyl)thiophene?
The IUPAC name of 2-iodo-3-methoxy-5-(trifluoromethyl)thiophene (CID 118630727) is 2-iodo-3-methoxy-5-(trifluoromethyl)thiophene.
What is the SMILES notation for 2-iodo-3-methoxy-5-(trifluoromethyl)thiophene?
The canonical SMILES for 2-iodo-3-methoxy-5-(trifluoromethyl)thiophene is COc1cc(C(F)(F)F)sc1I.
What is the InChIKey of 2-iodo-3-methoxy-5-(trifluoromethyl)thiophene?
The InChIKey is NYMSUBLBZGACPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3IOS/c1-11-3-2-4(6(7,8)9)12-5(3)10/h2H,1H3.
What are the key properties of 2-iodo-3-methoxy-5-(trifluoromethyl)thiophene?
2-iodo-3-methoxy-5-(trifluoromethyl)thiophene has a molecular weight of 308.06 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-3-methoxy-5-(trifluoromethyl)thiophene is sourced from PubChem (CID 118630727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).