8-(2,2-difluoroethoxy)isoquinolin-5-amine

C11H10F2N2O — CID 103140098

IUPAC8-(2,2-difluoroethoxy)isoquinolin-5-amine
SMILESNc1ccc(OCC(F)F)c2cnccc12
InChIInChI=1S/C11H10F2N2O/c12-11(13)6-16-10-2-1-9(14)7-3-4-15-5-8(7)10/h1-5,11H,6,14H2
InChIKeyBIZGKODNPZQWKJ-UHFFFAOYSA-N
MW224.21 g/mol
LogP2.46
Rot. Bonds3

About 8-(2,2-difluoroethoxy)isoquinolin-5-amine

8-(2,2-difluoroethoxy)isoquinolin-5-amine (PubChem CID 103140098) has the molecular formula C11H10F2N2O and a molecular weight of 224.21 g/mol. Its IUPAC name is 8-(2,2-difluoroethoxy)isoquinolin-5-amine.

Molecular Properties

Compound Name8-(2,2-difluoroethoxy)isoquinolin-5-amine
PubChem CID103140098
Molecular FormulaC11H10F2N2O
Molecular Weight224.21 g/mol
Exact Mass224.08
IUPAC Name8-(2,2-difluoroethoxy)isoquinolin-5-amine
SMILESNc1ccc(OCC(F)F)c2cnccc12
InChIInChI=1S/C11H10F2N2O/c12-11(13)6-16-10-2-1-9(14)7-3-4-15-5-8(7)10/h1-5,11H,6,14H2
InChIKeyBIZGKODNPZQWKJ-UHFFFAOYSA-N
XLogP2.46
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-(2,2-difluoroethoxy)isoquinolin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-ethoxyisoquinolin-5-amine
CID 103139590
8-(2,2,2-trifluoroethoxy)isoquinolin-5-amine
CID 103139582
8-propoxyisoquinolin-5-amine
CID 103139869
2-(5-aminoisoquinolin-8-yl)oxyethanol
CID 103139769
8-(4,4,4-trifluorobutoxy)isoquinolin-5-amine
CID 103140102
5-[2-(2-methylpropoxy)ethoxy]isoquinolin-8-amine
CID 106446795
isoquinoline-5,8-diamine;hydrochloride
CID 75525603
8-N-(2,2-difluoroethyl)-8-N-methylisoquinoline-5,8-diamine
CID 103139247
[4-(5-aminoisoquinolin-8-yl)oxyphenyl]methanol
CID 103139931
8-(2,4,5-trichlorophenoxy)isoquinolin-5-amine
CID 103139705
8-(2-chloro-4-fluorophenoxy)isoquinolin-5-amine
CID 103139902
8-(2-iodophenoxy)isoquinolin-5-amine
CID 103139878

Frequently Asked Questions

What is the IUPAC name of 8-(2,2-difluoroethoxy)isoquinolin-5-amine?
The IUPAC name of 8-(2,2-difluoroethoxy)isoquinolin-5-amine (CID 103140098) is 8-(2,2-difluoroethoxy)isoquinolin-5-amine.
What is the SMILES notation for 8-(2,2-difluoroethoxy)isoquinolin-5-amine?
The canonical SMILES for 8-(2,2-difluoroethoxy)isoquinolin-5-amine is Nc1ccc(OCC(F)F)c2cnccc12.
What is the InChIKey of 8-(2,2-difluoroethoxy)isoquinolin-5-amine?
The InChIKey is BIZGKODNPZQWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O/c12-11(13)6-16-10-2-1-9(14)7-3-4-15-5-8(7)10/h1-5,11H,6,14H2.
What are the key properties of 8-(2,2-difluoroethoxy)isoquinolin-5-amine?
8-(2,2-difluoroethoxy)isoquinolin-5-amine has a molecular weight of 224.21 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,2-difluoroethoxy)isoquinolin-5-amine is sourced from PubChem (CID 103140098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).