8-(trifluoromethyl)isoquinolin-3-amine

C10H7F3N2 — CID 71742569

IUPAC8-(trifluoromethyl)isoquinolin-3-amine
SMILESNc1cc2cccc(C(F)(F)F)c2cn1
InChIInChI=1S/C10H7F3N2/c11-10(12,13)8-3-1-2-6-4-9(14)15-5-7(6)8/h1-5H,(H2,14,15)
InChIKeyCYOPFIOCKFMNHI-UHFFFAOYSA-N
MW212.17 g/mol
LogP2.84
Rot. Bonds

About 8-(trifluoromethyl)isoquinolin-3-amine

8-(trifluoromethyl)isoquinolin-3-amine (PubChem CID 71742569) has the molecular formula C10H7F3N2 and a molecular weight of 212.17 g/mol. Its IUPAC name is 8-(trifluoromethyl)isoquinolin-3-amine.

Molecular Properties

Compound Name8-(trifluoromethyl)isoquinolin-3-amine
PubChem CID71742569
Molecular FormulaC10H7F3N2
Molecular Weight212.17 g/mol
Exact Mass212.06
IUPAC Name8-(trifluoromethyl)isoquinolin-3-amine
SMILESNc1cc2cccc(C(F)(F)F)c2cn1
InChIInChI=1S/C10H7F3N2/c11-10(12,13)8-3-1-2-6-4-9(14)15-5-7(6)8/h1-5H,(H2,14,15)
InChIKeyCYOPFIOCKFMNHI-UHFFFAOYSA-N
XLogP2.84
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.17
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-(trifluoromethyl)isoquinolin-3-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(trifluoromethyl)isoquinolin-3-amine?
The IUPAC name of 8-(trifluoromethyl)isoquinolin-3-amine (CID 71742569) is 8-(trifluoromethyl)isoquinolin-3-amine.
What is the SMILES notation for 8-(trifluoromethyl)isoquinolin-3-amine?
The canonical SMILES for 8-(trifluoromethyl)isoquinolin-3-amine is Nc1cc2cccc(C(F)(F)F)c2cn1.
What is the InChIKey of 8-(trifluoromethyl)isoquinolin-3-amine?
The InChIKey is CYOPFIOCKFMNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2/c11-10(12,13)8-3-1-2-6-4-9(14)15-5-7(6)8/h1-5H,(H2,14,15).
What are the key properties of 8-(trifluoromethyl)isoquinolin-3-amine?
8-(trifluoromethyl)isoquinolin-3-amine has a molecular weight of 212.17 g/mol, XLogP of 2.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(trifluoromethyl)isoquinolin-3-amine is sourced from PubChem (CID 71742569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).