6-chloro-7-(trifluoromethyl)quinolin-4-amine

C10H6ClF3N2 — CID 66487332

IUPAC6-chloro-7-(trifluoromethyl)quinolin-4-amine
SMILESNc1ccnc2cc(C(F)(F)F)c(Cl)cc12
InChIInChI=1S/C10H6ClF3N2/c11-7-3-5-8(15)1-2-16-9(5)4-6(7)10(12,13)14/h1-4H,(H2,15,16)
InChIKeyZYMYFBUCOWGJJJ-UHFFFAOYSA-N
MW246.62 g/mol
LogP3.49
Rot. Bonds

About 6-chloro-7-(trifluoromethyl)quinolin-4-amine

6-chloro-7-(trifluoromethyl)quinolin-4-amine (PubChem CID 66487332) has the molecular formula C10H6ClF3N2 and a molecular weight of 246.62 g/mol. Its IUPAC name is 6-chloro-7-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound Name6-chloro-7-(trifluoromethyl)quinolin-4-amine
PubChem CID66487332
Molecular FormulaC10H6ClF3N2
Molecular Weight246.62 g/mol
Exact Mass246.02
IUPAC Name6-chloro-7-(trifluoromethyl)quinolin-4-amine
SMILESNc1ccnc2cc(C(F)(F)F)c(Cl)cc12
InChIInChI=1S/C10H6ClF3N2/c11-7-3-5-8(15)1-2-16-9(5)4-6(7)10(12,13)14/h1-4H,(H2,15,16)
InChIKeyZYMYFBUCOWGJJJ-UHFFFAOYSA-N
XLogP3.49
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.62
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of 6-chloro-7-(trifluoromethyl)quinolin-4-amine (CID 66487332) is 6-chloro-7-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for 6-chloro-7-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for 6-chloro-7-(trifluoromethyl)quinolin-4-amine is Nc1ccnc2cc(C(F)(F)F)c(Cl)cc12.
What is the InChIKey of 6-chloro-7-(trifluoromethyl)quinolin-4-amine?
The InChIKey is ZYMYFBUCOWGJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF3N2/c11-7-3-5-8(15)1-2-16-9(5)4-6(7)10(12,13)14/h1-4H,(H2,15,16).
What are the key properties of 6-chloro-7-(trifluoromethyl)quinolin-4-amine?
6-chloro-7-(trifluoromethyl)quinolin-4-amine has a molecular weight of 246.62 g/mol, XLogP of 3.49, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 66487332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).