2-(2,2-difluoroethoxy)quinoline-3-carboximidamide

C12H11F2N3O — CID 82005292

IUPAC2-(2,2-difluoroethoxy)quinoline-3-carboximidamide
SMILES[H]/N=C(\N)c1cc2ccccc2nc1OCC(F)F
InChIInChI=1S/C12H11F2N3O/c13-10(14)6-18-12-8(11(15)16)5-7-3-1-2-4-9(7)17-12/h1-5,10H,6H2,(H3,15,16)
InChIKeyJYUDRAJOTGZLAT-UHFFFAOYSA-N
MW251.24 g/mol
LogP2.16
Rot. Bonds4

About 2-(2,2-difluoroethoxy)quinoline-3-carboximidamide

2-(2,2-difluoroethoxy)quinoline-3-carboximidamide (PubChem CID 82005292) has the molecular formula C12H11F2N3O and a molecular weight of 251.24 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)quinoline-3-carboximidamide.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)quinoline-3-carboximidamide
PubChem CID82005292
Molecular FormulaC12H11F2N3O
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name2-(2,2-difluoroethoxy)quinoline-3-carboximidamide
SMILES[H]/N=C(\N)c1cc2ccccc2nc1OCC(F)F
InChIInChI=1S/C12H11F2N3O/c13-10(14)6-18-12-8(11(15)16)5-7-3-1-2-4-9(7)17-12/h1-5,10H,6H2,(H3,15,16)
InChIKeyJYUDRAJOTGZLAT-UHFFFAOYSA-N
XLogP2.16
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)quinoline-3-carboximidamide?
The IUPAC name of 2-(2,2-difluoroethoxy)quinoline-3-carboximidamide (CID 82005292) is 2-(2,2-difluoroethoxy)quinoline-3-carboximidamide.
What is the SMILES notation for 2-(2,2-difluoroethoxy)quinoline-3-carboximidamide?
The canonical SMILES for 2-(2,2-difluoroethoxy)quinoline-3-carboximidamide is [H]/N=C(\N)c1cc2ccccc2nc1OCC(F)F.
What is the InChIKey of 2-(2,2-difluoroethoxy)quinoline-3-carboximidamide?
The InChIKey is JYUDRAJOTGZLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O/c13-10(14)6-18-12-8(11(15)16)5-7-3-1-2-4-9(7)17-12/h1-5,10H,6H2,(H3,15,16).
What are the key properties of 2-(2,2-difluoroethoxy)quinoline-3-carboximidamide?
2-(2,2-difluoroethoxy)quinoline-3-carboximidamide has a molecular weight of 251.24 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)quinoline-3-carboximidamide is sourced from PubChem (CID 82005292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).