2-(difluoromethyl)-8-fluoro-5-methylquinolin-4-amine

C11H9F3N2 — CID 62891759

IUPAC2-(difluoromethyl)-8-fluoro-5-methylquinolin-4-amine
SMILESCc1ccc(F)c2nc(C(F)F)cc(N)c12
InChIInChI=1S/C11H9F3N2/c1-5-2-3-6(12)10-9(5)7(15)4-8(16-10)11(13)14/h2-4,11H,1H3,(H2,15,16)
InChIKeyQGFXDQDKBZSLLA-UHFFFAOYSA-N
MW226.20 g/mol
LogP3.20
Rot. Bonds1

About 2-(difluoromethyl)-8-fluoro-5-methylquinolin-4-amine

2-(difluoromethyl)-8-fluoro-5-methylquinolin-4-amine (PubChem CID 62891759) has the molecular formula C11H9F3N2 and a molecular weight of 226.20 g/mol. Its IUPAC name is 2-(difluoromethyl)-8-fluoro-5-methylquinolin-4-amine.

Molecular Properties

Compound Name2-(difluoromethyl)-8-fluoro-5-methylquinolin-4-amine
PubChem CID62891759
Molecular FormulaC11H9F3N2
Molecular Weight226.20 g/mol
Exact Mass226.07
IUPAC Name2-(difluoromethyl)-8-fluoro-5-methylquinolin-4-amine
SMILESCc1ccc(F)c2nc(C(F)F)cc(N)c12
InChIInChI=1S/C11H9F3N2/c1-5-2-3-6(12)10-9(5)7(15)4-8(16-10)11(13)14/h2-4,11H,1H3,(H2,15,16)
InChIKeyQGFXDQDKBZSLLA-UHFFFAOYSA-N
XLogP3.20
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-8-fluoro-5-methylquinolin-4-amine?
The IUPAC name of 2-(difluoromethyl)-8-fluoro-5-methylquinolin-4-amine (CID 62891759) is 2-(difluoromethyl)-8-fluoro-5-methylquinolin-4-amine.
What is the SMILES notation for 2-(difluoromethyl)-8-fluoro-5-methylquinolin-4-amine?
The canonical SMILES for 2-(difluoromethyl)-8-fluoro-5-methylquinolin-4-amine is Cc1ccc(F)c2nc(C(F)F)cc(N)c12.
What is the InChIKey of 2-(difluoromethyl)-8-fluoro-5-methylquinolin-4-amine?
The InChIKey is QGFXDQDKBZSLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2/c1-5-2-3-6(12)10-9(5)7(15)4-8(16-10)11(13)14/h2-4,11H,1H3,(H2,15,16).
What are the key properties of 2-(difluoromethyl)-8-fluoro-5-methylquinolin-4-amine?
2-(difluoromethyl)-8-fluoro-5-methylquinolin-4-amine has a molecular weight of 226.20 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-8-fluoro-5-methylquinolin-4-amine is sourced from PubChem (CID 62891759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).