5-chloro-8-fluoro-2-(trifluoromethyl)quinolin-4-amine

C10H5ClF4N2 — CID 55045501

IUPAC5-chloro-8-fluoro-2-(trifluoromethyl)quinolin-4-amine
SMILESNc1cc(C(F)(F)F)nc2c(F)ccc(Cl)c12
InChIInChI=1S/C10H5ClF4N2/c11-4-1-2-5(12)9-8(4)6(16)3-7(17-9)10(13,14)15/h1-3H,(H2,16,17)
InChIKeyZWIOZQWETKQFDM-UHFFFAOYSA-N
MW264.61 g/mol
LogP3.63
Rot. Bonds

About 5-chloro-8-fluoro-2-(trifluoromethyl)quinolin-4-amine

5-chloro-8-fluoro-2-(trifluoromethyl)quinolin-4-amine (PubChem CID 55045501) has the molecular formula C10H5ClF4N2 and a molecular weight of 264.61 g/mol. Its IUPAC name is 5-chloro-8-fluoro-2-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound Name5-chloro-8-fluoro-2-(trifluoromethyl)quinolin-4-amine
PubChem CID55045501
Molecular FormulaC10H5ClF4N2
Molecular Weight264.61 g/mol
Exact Mass264.01
IUPAC Name5-chloro-8-fluoro-2-(trifluoromethyl)quinolin-4-amine
SMILESNc1cc(C(F)(F)F)nc2c(F)ccc(Cl)c12
InChIInChI=1S/C10H5ClF4N2/c11-4-1-2-5(12)9-8(4)6(16)3-7(17-9)10(13,14)15/h1-3H,(H2,16,17)
InChIKeyZWIOZQWETKQFDM-UHFFFAOYSA-N
XLogP3.63
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.61
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-fluoro-2-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of 5-chloro-8-fluoro-2-(trifluoromethyl)quinolin-4-amine (CID 55045501) is 5-chloro-8-fluoro-2-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for 5-chloro-8-fluoro-2-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for 5-chloro-8-fluoro-2-(trifluoromethyl)quinolin-4-amine is Nc1cc(C(F)(F)F)nc2c(F)ccc(Cl)c12.
What is the InChIKey of 5-chloro-8-fluoro-2-(trifluoromethyl)quinolin-4-amine?
The InChIKey is ZWIOZQWETKQFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF4N2/c11-4-1-2-5(12)9-8(4)6(16)3-7(17-9)10(13,14)15/h1-3H,(H2,16,17).
What are the key properties of 5-chloro-8-fluoro-2-(trifluoromethyl)quinolin-4-amine?
5-chloro-8-fluoro-2-(trifluoromethyl)quinolin-4-amine has a molecular weight of 264.61 g/mol, XLogP of 3.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-fluoro-2-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 55045501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).