1-[5-fluoro-8-(3-fluorophenyl)cinnolin-7-yl]ethanamine

C16H13F2N3 — CID 58368432

IUPAC1-[5-fluoro-8-(3-fluorophenyl)cinnolin-7-yl]ethanamine
SMILESCC(N)c1cc(F)c2ccnnc2c1-c1cccc(F)c1
InChIInChI=1S/C16H13F2N3/c1-9(19)13-8-14(18)12-5-6-20-21-16(12)15(13)10-3-2-4-11(17)7-10/h2-9H,19H2,1H3
InChIKeyFRCFBAFEMIKMFU-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.59
Rot. Bonds2

About 1-[5-fluoro-8-(3-fluorophenyl)cinnolin-7-yl]ethanamine

1-[5-fluoro-8-(3-fluorophenyl)cinnolin-7-yl]ethanamine (PubChem CID 58368432) has the molecular formula C16H13F2N3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 1-[5-fluoro-8-(3-fluorophenyl)cinnolin-7-yl]ethanamine.

Molecular Properties

Compound Name1-[5-fluoro-8-(3-fluorophenyl)cinnolin-7-yl]ethanamine
PubChem CID58368432
Molecular FormulaC16H13F2N3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name1-[5-fluoro-8-(3-fluorophenyl)cinnolin-7-yl]ethanamine
SMILESCC(N)c1cc(F)c2ccnnc2c1-c1cccc(F)c1
InChIInChI=1S/C16H13F2N3/c1-9(19)13-8-14(18)12-5-6-20-21-16(12)15(13)10-3-2-4-11(17)7-10/h2-9H,19H2,1H3
InChIKeyFRCFBAFEMIKMFU-UHFFFAOYSA-N
XLogP3.59
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[5-fluoro-8-(3-fluorophenyl)cinnolin-7-yl]ethanamine 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 1-[5-fluoro-8-(3-fluorophenyl)cinnolin-7-yl]ethanamine?
The IUPAC name of 1-[5-fluoro-8-(3-fluorophenyl)cinnolin-7-yl]ethanamine (CID 58368432) is 1-[5-fluoro-8-(3-fluorophenyl)cinnolin-7-yl]ethanamine.
What is the SMILES notation for 1-[5-fluoro-8-(3-fluorophenyl)cinnolin-7-yl]ethanamine?
The canonical SMILES for 1-[5-fluoro-8-(3-fluorophenyl)cinnolin-7-yl]ethanamine is CC(N)c1cc(F)c2ccnnc2c1-c1cccc(F)c1.
What is the InChIKey of 1-[5-fluoro-8-(3-fluorophenyl)cinnolin-7-yl]ethanamine?
The InChIKey is FRCFBAFEMIKMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3/c1-9(19)13-8-14(18)12-5-6-20-21-16(12)15(13)10-3-2-4-11(17)7-10/h2-9H,19H2,1H3.
What are the key properties of 1-[5-fluoro-8-(3-fluorophenyl)cinnolin-7-yl]ethanamine?
1-[5-fluoro-8-(3-fluorophenyl)cinnolin-7-yl]ethanamine has a molecular weight of 285.30 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-8-(3-fluorophenyl)cinnolin-7-yl]ethanamine is sourced from PubChem (CID 58368432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).