6-chloro-2-(difluoromethyl)-7-fluoro-N-methylquinolin-4-amine

C11H8ClF3N2 — CID 103996806

IUPAC6-chloro-2-(difluoromethyl)-7-fluoro-N-methylquinolin-4-amine
SMILESCNc1cc(C(F)F)nc2cc(F)c(Cl)cc12
InChIInChI=1S/C11H8ClF3N2/c1-16-8-4-10(11(14)15)17-9-3-7(13)6(12)2-5(8)9/h2-4,11H,1H3,(H,16,17)
InChIKeyYHBAKZIKZOTDLM-UHFFFAOYSA-N
MW260.65 g/mol
LogP4.01
Rot. Bonds2

About 6-chloro-2-(difluoromethyl)-7-fluoro-N-methylquinolin-4-amine

6-chloro-2-(difluoromethyl)-7-fluoro-N-methylquinolin-4-amine (PubChem CID 103996806) has the molecular formula C11H8ClF3N2 and a molecular weight of 260.65 g/mol. Its IUPAC name is 6-chloro-2-(difluoromethyl)-7-fluoro-N-methylquinolin-4-amine.

Molecular Properties

Compound Name6-chloro-2-(difluoromethyl)-7-fluoro-N-methylquinolin-4-amine
PubChem CID103996806
Molecular FormulaC11H8ClF3N2
Molecular Weight260.65 g/mol
Exact Mass260.03
IUPAC Name6-chloro-2-(difluoromethyl)-7-fluoro-N-methylquinolin-4-amine
SMILESCNc1cc(C(F)F)nc2cc(F)c(Cl)cc12
InChIInChI=1S/C11H8ClF3N2/c1-16-8-4-10(11(14)15)17-9-3-7(13)6(12)2-5(8)9/h2-4,11H,1H3,(H,16,17)
InChIKeyYHBAKZIKZOTDLM-UHFFFAOYSA-N
XLogP4.01
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.65
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-2-(difluoromethyl)-N,6-dimethylquinolin-4-amine
CID 113445330
6-bromo-2-(difluoromethyl)-7-fluoro-N-methylquinolin-4-amine
CID 113363437
7-(difluoromethyl)-N-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-amine
CID 62892094
7-chloro-2-(difluoromethyl)-N-ethyl-6-methylquinolin-4-amine
CID 113445336
6-bromo-7,8-dichloro-2-(difluoromethyl)-N-methylquinolin-4-amine
CID 114002166
6-chloro-N,2-diethyl-7-fluoroquinolin-4-amine
CID 103996830
6-chloro-2-ethyl-7-fluoro-N,3-dimethylquinolin-4-amine
CID 113363430
2-(difluoromethyl)-N-methyl-6-piperidin-1-ylquinolin-4-amine
CID 63181107
6-bromo-7-chloro-2-(difluoromethyl)-4-methylquinoline
CID 165443847
6-fluoro-N-methyl-2-propan-2-ylquinolin-4-amine
CID 62202391
2-(difluoromethyl)-N,5,7-trimethylquinolin-4-amine
CID 62891070
6,7-dimethoxy-N-methyl-2-propan-2-ylquinolin-4-amine
CID 62203943

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(difluoromethyl)-7-fluoro-N-methylquinolin-4-amine?
The IUPAC name of 6-chloro-2-(difluoromethyl)-7-fluoro-N-methylquinolin-4-amine (CID 103996806) is 6-chloro-2-(difluoromethyl)-7-fluoro-N-methylquinolin-4-amine.
What is the SMILES notation for 6-chloro-2-(difluoromethyl)-7-fluoro-N-methylquinolin-4-amine?
The canonical SMILES for 6-chloro-2-(difluoromethyl)-7-fluoro-N-methylquinolin-4-amine is CNc1cc(C(F)F)nc2cc(F)c(Cl)cc12.
What is the InChIKey of 6-chloro-2-(difluoromethyl)-7-fluoro-N-methylquinolin-4-amine?
The InChIKey is YHBAKZIKZOTDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N2/c1-16-8-4-10(11(14)15)17-9-3-7(13)6(12)2-5(8)9/h2-4,11H,1H3,(H,16,17).
What are the key properties of 6-chloro-2-(difluoromethyl)-7-fluoro-N-methylquinolin-4-amine?
6-chloro-2-(difluoromethyl)-7-fluoro-N-methylquinolin-4-amine has a molecular weight of 260.65 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(difluoromethyl)-7-fluoro-N-methylquinolin-4-amine is sourced from PubChem (CID 103996806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).