8-(fluoromethyl)-5-iodoquinoline

C10H7FIN — CID 102290608

IUPAC8-(fluoromethyl)-5-iodoquinoline
SMILESFCc1ccc(I)c2cccnc12
InChIInChI=1S/C10H7FIN/c11-6-7-3-4-9(12)8-2-1-5-13-10(7)8/h1-5H,6H2
InChIKeyBXQOZUGMYQEKQB-UHFFFAOYSA-N
MW287.08 g/mol
LogP3.31
Rot. Bonds1

About 8-(fluoromethyl)-5-iodoquinoline

8-(fluoromethyl)-5-iodoquinoline (PubChem CID 102290608) has the molecular formula C10H7FIN and a molecular weight of 287.08 g/mol. Its IUPAC name is 8-(fluoromethyl)-5-iodoquinoline.

Molecular Properties

Compound Name8-(fluoromethyl)-5-iodoquinoline
PubChem CID102290608
Molecular FormulaC10H7FIN
Molecular Weight287.08 g/mol
Exact Mass286.96
IUPAC Name8-(fluoromethyl)-5-iodoquinoline
SMILESFCc1ccc(I)c2cccnc12
InChIInChI=1S/C10H7FIN/c11-6-7-3-4-9(12)8-2-1-5-13-10(7)8/h1-5H,6H2
InChIKeyBXQOZUGMYQEKQB-UHFFFAOYSA-N
XLogP3.31
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.08
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(fluoromethyl)-5-iodoquinoline?
The IUPAC name of 8-(fluoromethyl)-5-iodoquinoline (CID 102290608) is 8-(fluoromethyl)-5-iodoquinoline.
What is the SMILES notation for 8-(fluoromethyl)-5-iodoquinoline?
The canonical SMILES for 8-(fluoromethyl)-5-iodoquinoline is FCc1ccc(I)c2cccnc12.
What is the InChIKey of 8-(fluoromethyl)-5-iodoquinoline?
The InChIKey is BXQOZUGMYQEKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FIN/c11-6-7-3-4-9(12)8-2-1-5-13-10(7)8/h1-5H,6H2.
What are the key properties of 8-(fluoromethyl)-5-iodoquinoline?
8-(fluoromethyl)-5-iodoquinoline has a molecular weight of 287.08 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(fluoromethyl)-5-iodoquinoline is sourced from PubChem (CID 102290608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).