1-fluoro-6-propan-2-yl-2H-quinoline;hydroiodide

C12H15FIN — CID 172764790

IUPAC1-fluoro-6-propan-2-yl-2H-quinoline;hydroiodide
SMILESCC(C)c1ccc2c(c1)C=CCN2F.I
InChIInChI=1S/C12H14FN.HI/c1-9(2)10-5-6-12-11(8-10)4-3-7-14(12)13;/h3-6,8-9H,7H2,1-2H3;1H
InChIKeyMDYQGZKKRQLJIU-UHFFFAOYSA-N
MW319.16 g/mol
LogP4.15
Rot. Bonds1

About 1-fluoro-6-propan-2-yl-2H-quinoline;hydroiodide

1-fluoro-6-propan-2-yl-2H-quinoline;hydroiodide (PubChem CID 172764790) has the molecular formula C12H15FIN and a molecular weight of 319.16 g/mol. Its IUPAC name is 1-fluoro-6-propan-2-yl-2H-quinoline;hydroiodide.

Molecular Properties

Compound Name1-fluoro-6-propan-2-yl-2H-quinoline;hydroiodide
PubChem CID172764790
Molecular FormulaC12H15FIN
Molecular Weight319.16 g/mol
Exact Mass319.02
IUPAC Name1-fluoro-6-propan-2-yl-2H-quinoline;hydroiodide
SMILESCC(C)c1ccc2c(c1)C=CCN2F.I
InChIInChI=1S/C12H14FN.HI/c1-9(2)10-5-6-12-11(8-10)4-3-7-14(12)13;/h3-6,8-9H,7H2,1-2H3;1H
InChIKeyMDYQGZKKRQLJIU-UHFFFAOYSA-N
XLogP4.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-6-propan-2-yl-2H-quinoline;hydroiodide?
The IUPAC name of 1-fluoro-6-propan-2-yl-2H-quinoline;hydroiodide (CID 172764790) is 1-fluoro-6-propan-2-yl-2H-quinoline;hydroiodide.
What is the SMILES notation for 1-fluoro-6-propan-2-yl-2H-quinoline;hydroiodide?
The canonical SMILES for 1-fluoro-6-propan-2-yl-2H-quinoline;hydroiodide is CC(C)c1ccc2c(c1)C=CCN2F.I.
What is the InChIKey of 1-fluoro-6-propan-2-yl-2H-quinoline;hydroiodide?
The InChIKey is MDYQGZKKRQLJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN.HI/c1-9(2)10-5-6-12-11(8-10)4-3-7-14(12)13;/h3-6,8-9H,7H2,1-2H3;1H.
What are the key properties of 1-fluoro-6-propan-2-yl-2H-quinoline;hydroiodide?
1-fluoro-6-propan-2-yl-2H-quinoline;hydroiodide has a molecular weight of 319.16 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-6-propan-2-yl-2H-quinoline;hydroiodide is sourced from PubChem (CID 172764790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).