4-[difluoro(iodo)methyl]quinolin-2-amine

C10H7F2IN2 — CID 122662864

IUPAC4-[difluoro(iodo)methyl]quinolin-2-amine
SMILESNc1cc(C(F)(F)I)c2ccccc2n1
InChIInChI=1S/C10H7F2IN2/c11-10(12,13)7-5-9(14)15-8-4-2-1-3-6(7)8/h1-5H,(H2,14,15)
InChIKeyYSXRAPCRAZHHRP-UHFFFAOYSA-N
MW320.08 g/mol
LogP3.30
Rot. Bonds1

About 4-[difluoro(iodo)methyl]quinolin-2-amine

4-[difluoro(iodo)methyl]quinolin-2-amine (PubChem CID 122662864) has the molecular formula C10H7F2IN2 and a molecular weight of 320.08 g/mol. Its IUPAC name is 4-[difluoro(iodo)methyl]quinolin-2-amine.

Molecular Properties

Compound Name4-[difluoro(iodo)methyl]quinolin-2-amine
PubChem CID122662864
Molecular FormulaC10H7F2IN2
Molecular Weight320.08 g/mol
Exact Mass319.96
IUPAC Name4-[difluoro(iodo)methyl]quinolin-2-amine
SMILESNc1cc(C(F)(F)I)c2ccccc2n1
InChIInChI=1S/C10H7F2IN2/c11-10(12,13)7-5-9(14)15-8-4-2-1-3-6(7)8/h1-5H,(H2,14,15)
InChIKeyYSXRAPCRAZHHRP-UHFFFAOYSA-N
XLogP3.30
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.08
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[difluoro(iodo)methyl]quinolin-2-amine?
The IUPAC name of 4-[difluoro(iodo)methyl]quinolin-2-amine (CID 122662864) is 4-[difluoro(iodo)methyl]quinolin-2-amine.
What is the SMILES notation for 4-[difluoro(iodo)methyl]quinolin-2-amine?
The canonical SMILES for 4-[difluoro(iodo)methyl]quinolin-2-amine is Nc1cc(C(F)(F)I)c2ccccc2n1.
What is the InChIKey of 4-[difluoro(iodo)methyl]quinolin-2-amine?
The InChIKey is YSXRAPCRAZHHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2IN2/c11-10(12,13)7-5-9(14)15-8-4-2-1-3-6(7)8/h1-5H,(H2,14,15).
What are the key properties of 4-[difluoro(iodo)methyl]quinolin-2-amine?
4-[difluoro(iodo)methyl]quinolin-2-amine has a molecular weight of 320.08 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[difluoro(iodo)methyl]quinolin-2-amine is sourced from PubChem (CID 122662864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).