8-N-(3,4,5-trifluorophenyl)quinoline-5,8-diamine

C15H10F3N3 — CID 62809309

IUPAC8-N-(3,4,5-trifluorophenyl)quinoline-5,8-diamine
SMILESNc1ccc(Nc2cc(F)c(F)c(F)c2)c2ncccc12
InChIInChI=1S/C15H10F3N3/c16-10-6-8(7-11(17)14(10)18)21-13-4-3-12(19)9-2-1-5-20-15(9)13/h1-7,21H,19H2
InChIKeyFFTDOSIGDPEQFU-UHFFFAOYSA-N
MW289.26 g/mol
LogP3.98
Rot. Bonds2

About 8-N-(3,4,5-trifluorophenyl)quinoline-5,8-diamine

8-N-(3,4,5-trifluorophenyl)quinoline-5,8-diamine (PubChem CID 62809309) has the molecular formula C15H10F3N3 and a molecular weight of 289.26 g/mol. Its IUPAC name is 8-N-(3,4,5-trifluorophenyl)quinoline-5,8-diamine.

Molecular Properties

Compound Name8-N-(3,4,5-trifluorophenyl)quinoline-5,8-diamine
PubChem CID62809309
Molecular FormulaC15H10F3N3
Molecular Weight289.26 g/mol
Exact Mass289.08
IUPAC Name8-N-(3,4,5-trifluorophenyl)quinoline-5,8-diamine
SMILESNc1ccc(Nc2cc(F)c(F)c(F)c2)c2ncccc12
InChIInChI=1S/C15H10F3N3/c16-10-6-8(7-11(17)14(10)18)21-13-4-3-12(19)9-2-1-5-20-15(9)13/h1-7,21H,19H2
InChIKeyFFTDOSIGDPEQFU-UHFFFAOYSA-N
XLogP3.98
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

8-N-(4-bromo-2-fluorophenyl)quinoline-5,8-diamine
CID 43450170
8-N-(2-fluoro-5-methylphenyl)quinoline-5,8-diamine
CID 43450217
8-N-(2-chloro-4,6-difluorophenyl)quinoline-5,8-diamine
CID 83074548
8-N-(3-bromo-5-methoxyphenyl)quinoline-5,8-diamine
CID 82859548
8-N-(2,5-dimethylphenyl)quinoline-5,8-diamine
CID 43450182
5-N-(3-fluoro-4-methoxyphenyl)quinoline-5,8-diamine
CID 43449573
2-N-(5-chloroquinolin-8-yl)-3,4-difluorobenzene-1,2-diamine
CID 116783002
8-N-(2-bromo-4-methylphenyl)quinoline-5,8-diamine
CID 43450156
8-N-(2-chloro-4-iodophenyl)quinoline-5,8-diamine
CID 107606169
8-N-(2-propan-2-ylphenyl)quinoline-5,8-diamine
CID 43450167
8-N-(5-chloro-2-methoxyphenyl)quinoline-5,8-diamine
CID 43450176
8-N-(5-bromo-2-methylphenyl)quinoline-5,8-diamine
CID 43805906

Frequently Asked Questions

What is the IUPAC name of 8-N-(3,4,5-trifluorophenyl)quinoline-5,8-diamine?
The IUPAC name of 8-N-(3,4,5-trifluorophenyl)quinoline-5,8-diamine (CID 62809309) is 8-N-(3,4,5-trifluorophenyl)quinoline-5,8-diamine.
What is the SMILES notation for 8-N-(3,4,5-trifluorophenyl)quinoline-5,8-diamine?
The canonical SMILES for 8-N-(3,4,5-trifluorophenyl)quinoline-5,8-diamine is Nc1ccc(Nc2cc(F)c(F)c(F)c2)c2ncccc12.
What is the InChIKey of 8-N-(3,4,5-trifluorophenyl)quinoline-5,8-diamine?
The InChIKey is FFTDOSIGDPEQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3/c16-10-6-8(7-11(17)14(10)18)21-13-4-3-12(19)9-2-1-5-20-15(9)13/h1-7,21H,19H2.
What are the key properties of 8-N-(3,4,5-trifluorophenyl)quinoline-5,8-diamine?
8-N-(3,4,5-trifluorophenyl)quinoline-5,8-diamine has a molecular weight of 289.26 g/mol, XLogP of 3.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(3,4,5-trifluorophenyl)quinoline-5,8-diamine is sourced from PubChem (CID 62809309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).