N-(2,2,2-trifluoroethyl)cinnolin-4-amine

C10H8F3N3 — CID 63586208

IUPACN-(2,2,2-trifluoroethyl)cinnolin-4-amine
SMILESFC(F)(F)CNc1cnnc2ccccc12
InChIInChI=1S/C10H8F3N3/c11-10(12,13)6-14-9-5-15-16-8-4-2-1-3-7(8)9/h1-5H,6H2,(H,14,16)
InChIKeyQNBMLXFTYRLVOC-UHFFFAOYSA-N
MW227.19 g/mol
LogP2.60
Rot. Bonds2

About N-(2,2,2-trifluoroethyl)cinnolin-4-amine

N-(2,2,2-trifluoroethyl)cinnolin-4-amine (PubChem CID 63586208) has the molecular formula C10H8F3N3 and a molecular weight of 227.19 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)cinnolin-4-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)cinnolin-4-amine
PubChem CID63586208
Molecular FormulaC10H8F3N3
Molecular Weight227.19 g/mol
Exact Mass227.07
IUPAC NameN-(2,2,2-trifluoroethyl)cinnolin-4-amine
SMILESFC(F)(F)CNc1cnnc2ccccc12
InChIInChI=1S/C10H8F3N3/c11-10(12,13)6-14-9-5-15-16-8-4-2-1-3-7(8)9/h1-5H,6H2,(H,14,16)
InChIKeyQNBMLXFTYRLVOC-UHFFFAOYSA-N
XLogP2.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,2,2-trifluoroethyl)cinnolin-4-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 N-(2,2,2-trifluoroethyl)cinnolin-4-amine?
The IUPAC name of N-(2,2,2-trifluoroethyl)cinnolin-4-amine (CID 63586208) is N-(2,2,2-trifluoroethyl)cinnolin-4-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)cinnolin-4-amine?
The canonical SMILES for N-(2,2,2-trifluoroethyl)cinnolin-4-amine is FC(F)(F)CNc1cnnc2ccccc12.
What is the InChIKey of N-(2,2,2-trifluoroethyl)cinnolin-4-amine?
The InChIKey is QNBMLXFTYRLVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3/c11-10(12,13)6-14-9-5-15-16-8-4-2-1-3-7(8)9/h1-5H,6H2,(H,14,16).
What are the key properties of N-(2,2,2-trifluoroethyl)cinnolin-4-amine?
N-(2,2,2-trifluoroethyl)cinnolin-4-amine has a molecular weight of 227.19 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)cinnolin-4-amine is sourced from PubChem (CID 63586208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).