3-iodo-2-pent-4-enoxy-6-(trifluoromethyl)pyridine

C11H11F3INO — CID 67039041

IUPAC3-iodo-2-pent-4-enoxy-6-(trifluoromethyl)pyridine
SMILESC=CCCCOc1nc(C(F)(F)F)ccc1I
InChIInChI=1S/C11H11F3INO/c1-2-3-4-7-17-10-8(15)5-6-9(16-10)11(12,13)14/h2,5-6H,1,3-4,7H2
InChIKeyLYIPGVVLIRDXGZ-UHFFFAOYSA-N
MW357.11 g/mol
LogP4.05
Rot. Bonds5

About 3-iodo-2-pent-4-enoxy-6-(trifluoromethyl)pyridine

3-iodo-2-pent-4-enoxy-6-(trifluoromethyl)pyridine (PubChem CID 67039041) has the molecular formula C11H11F3INO and a molecular weight of 357.11 g/mol. Its IUPAC name is 3-iodo-2-pent-4-enoxy-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-iodo-2-pent-4-enoxy-6-(trifluoromethyl)pyridine
PubChem CID67039041
Molecular FormulaC11H11F3INO
Molecular Weight357.11 g/mol
Exact Mass356.98
IUPAC Name3-iodo-2-pent-4-enoxy-6-(trifluoromethyl)pyridine
SMILESC=CCCCOc1nc(C(F)(F)F)ccc1I
InChIInChI=1S/C11H11F3INO/c1-2-3-4-7-17-10-8(15)5-6-9(16-10)11(12,13)14/h2,5-6H,1,3-4,7H2
InChIKeyLYIPGVVLIRDXGZ-UHFFFAOYSA-N
XLogP4.05
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.11
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-2-pent-4-enoxy-6-(trifluoromethyl)pyridine?
The IUPAC name of 3-iodo-2-pent-4-enoxy-6-(trifluoromethyl)pyridine (CID 67039041) is 3-iodo-2-pent-4-enoxy-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-iodo-2-pent-4-enoxy-6-(trifluoromethyl)pyridine?
The canonical SMILES for 3-iodo-2-pent-4-enoxy-6-(trifluoromethyl)pyridine is C=CCCCOc1nc(C(F)(F)F)ccc1I.
What is the InChIKey of 3-iodo-2-pent-4-enoxy-6-(trifluoromethyl)pyridine?
The InChIKey is LYIPGVVLIRDXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3INO/c1-2-3-4-7-17-10-8(15)5-6-9(16-10)11(12,13)14/h2,5-6H,1,3-4,7H2.
What are the key properties of 3-iodo-2-pent-4-enoxy-6-(trifluoromethyl)pyridine?
3-iodo-2-pent-4-enoxy-6-(trifluoromethyl)pyridine has a molecular weight of 357.11 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-2-pent-4-enoxy-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 67039041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).