2-(difluoromethyl)-6-fluoro-8-iodoquinolin-4-amine

C10H6F3IN2 — CID 79772171

IUPAC2-(difluoromethyl)-6-fluoro-8-iodoquinolin-4-amine
SMILESNc1cc(C(F)F)nc2c(I)cc(F)cc12
InChIInChI=1S/C10H6F3IN2/c11-4-1-5-7(15)3-8(10(12)13)16-9(5)6(14)2-4/h1-3,10H,(H2,15,16)
InChIKeyIOGDWDPTSLLKJF-UHFFFAOYSA-N
MW338.07 g/mol
LogP3.50
Rot. Bonds1

About 2-(difluoromethyl)-6-fluoro-8-iodoquinolin-4-amine

2-(difluoromethyl)-6-fluoro-8-iodoquinolin-4-amine (PubChem CID 79772171) has the molecular formula C10H6F3IN2 and a molecular weight of 338.07 g/mol. Its IUPAC name is 2-(difluoromethyl)-6-fluoro-8-iodoquinolin-4-amine.

Molecular Properties

Compound Name2-(difluoromethyl)-6-fluoro-8-iodoquinolin-4-amine
PubChem CID79772171
Molecular FormulaC10H6F3IN2
Molecular Weight338.07 g/mol
Exact Mass337.95
IUPAC Name2-(difluoromethyl)-6-fluoro-8-iodoquinolin-4-amine
SMILESNc1cc(C(F)F)nc2c(I)cc(F)cc12
InChIInChI=1S/C10H6F3IN2/c11-4-1-5-7(15)3-8(10(12)13)16-9(5)6(14)2-4/h1-3,10H,(H2,15,16)
InChIKeyIOGDWDPTSLLKJF-UHFFFAOYSA-N
XLogP3.50
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.07
LogP ≤ 53.50
H-Bond Donors ≤ 51
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-(difluoromethyl)-6-fluoro-8-iodoquinolin-4-amine?
The IUPAC name of 2-(difluoromethyl)-6-fluoro-8-iodoquinolin-4-amine (CID 79772171) is 2-(difluoromethyl)-6-fluoro-8-iodoquinolin-4-amine.
What is the SMILES notation for 2-(difluoromethyl)-6-fluoro-8-iodoquinolin-4-amine?
The canonical SMILES for 2-(difluoromethyl)-6-fluoro-8-iodoquinolin-4-amine is Nc1cc(C(F)F)nc2c(I)cc(F)cc12.
What is the InChIKey of 2-(difluoromethyl)-6-fluoro-8-iodoquinolin-4-amine?
The InChIKey is IOGDWDPTSLLKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3IN2/c11-4-1-5-7(15)3-8(10(12)13)16-9(5)6(14)2-4/h1-3,10H,(H2,15,16).
What are the key properties of 2-(difluoromethyl)-6-fluoro-8-iodoquinolin-4-amine?
2-(difluoromethyl)-6-fluoro-8-iodoquinolin-4-amine has a molecular weight of 338.07 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-6-fluoro-8-iodoquinolin-4-amine is sourced from PubChem (CID 79772171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).