N-(2,2-difluoroethyl)-6-fluoro-2-methylquinolin-4-amine

C12H11F3N2 — CID 133368446

IUPACN-(2,2-difluoroethyl)-6-fluoro-2-methylquinolin-4-amine
SMILESCc1cc(NCC(F)F)c2cc(F)ccc2n1
InChIInChI=1S/C12H11F3N2/c1-7-4-11(16-6-12(14)15)9-5-8(13)2-3-10(9)17-7/h2-5,12H,6H2,1H3,(H,16,17)
InChIKeyCLMMLCAKDDYJND-UHFFFAOYSA-N
MW240.23 g/mol
LogP3.36
Rot. Bonds3

About N-(2,2-difluoroethyl)-6-fluoro-2-methylquinolin-4-amine

N-(2,2-difluoroethyl)-6-fluoro-2-methylquinolin-4-amine (PubChem CID 133368446) has the molecular formula C12H11F3N2 and a molecular weight of 240.23 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-6-fluoro-2-methylquinolin-4-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-6-fluoro-2-methylquinolin-4-amine
PubChem CID133368446
Molecular FormulaC12H11F3N2
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC NameN-(2,2-difluoroethyl)-6-fluoro-2-methylquinolin-4-amine
SMILESCc1cc(NCC(F)F)c2cc(F)ccc2n1
InChIInChI=1S/C12H11F3N2/c1-7-4-11(16-6-12(14)15)9-5-8(13)2-3-10(9)17-7/h2-5,12H,6H2,1H3,(H,16,17)
InChIKeyCLMMLCAKDDYJND-UHFFFAOYSA-N
XLogP3.36
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(2,2-difluoroethyl)-2-methylquinoline-4,6-diamine
CID 113383859
1-[(6-fluoro-2-methylquinolin-4-yl)amino]-3-methoxypropan-2-ol
CID 133394039
1-[(6-fluoro-2-methylquinolin-4-yl)amino]pentan-2-ol
CID 133388853
1-cyclopentyl-2-[(6-fluoro-2-methylquinolin-4-yl)amino]ethanol
CID 133394062
2-[(6-fluoro-2-methylquinolin-4-yl)amino]propane-1,3-diol
CID 133368202
6-[(6-fluoro-2-methylquinolin-4-yl)amino]hexan-1-ol
CID 133434438
N-(6-fluoro-2-methylquinolin-4-yl)-2-methylpropanamide
CID 39850982
6-fluoro-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]quinolin-4-amine
CID 133369297
4-fluoro-3-[[(6-fluoro-2-methylquinolin-4-yl)amino]methyl]benzonitrile
CID 133368259
6-fluoro-2-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]quinolin-4-amine
CID 133368696
ethane;6-fluoro-2,4-dimethylquinoline
CID 142222878
1-[2-[(6-fluoro-2-methylquinolin-4-yl)amino]ethyl]piperidin-2-one
CID 131940721

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-6-fluoro-2-methylquinolin-4-amine?
The IUPAC name of N-(2,2-difluoroethyl)-6-fluoro-2-methylquinolin-4-amine (CID 133368446) is N-(2,2-difluoroethyl)-6-fluoro-2-methylquinolin-4-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-6-fluoro-2-methylquinolin-4-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-6-fluoro-2-methylquinolin-4-amine is Cc1cc(NCC(F)F)c2cc(F)ccc2n1.
What is the InChIKey of N-(2,2-difluoroethyl)-6-fluoro-2-methylquinolin-4-amine?
The InChIKey is CLMMLCAKDDYJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2/c1-7-4-11(16-6-12(14)15)9-5-8(13)2-3-10(9)17-7/h2-5,12H,6H2,1H3,(H,16,17).
What are the key properties of N-(2,2-difluoroethyl)-6-fluoro-2-methylquinolin-4-amine?
N-(2,2-difluoroethyl)-6-fluoro-2-methylquinolin-4-amine has a molecular weight of 240.23 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-6-fluoro-2-methylquinolin-4-amine is sourced from PubChem (CID 133368446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).