6-(4,4,4-trifluorobutoxy)quinolin-5-amine

C13H13F3N2O — CID 82788005

IUPAC6-(4,4,4-trifluorobutoxy)quinolin-5-amine
SMILESNc1c(OCCCC(F)(F)F)ccc2ncccc12
InChIInChI=1S/C13H13F3N2O/c14-13(15,16)6-2-8-19-11-5-4-10-9(12(11)17)3-1-7-18-10/h1,3-5,7H,2,6,8,17H2
InChIKeyPIHIARNOEMNPIB-UHFFFAOYSA-N
MW270.25 g/mol
LogP3.54
Rot. Bonds4

About 6-(4,4,4-trifluorobutoxy)quinolin-5-amine

6-(4,4,4-trifluorobutoxy)quinolin-5-amine (PubChem CID 82788005) has the molecular formula C13H13F3N2O and a molecular weight of 270.25 g/mol. Its IUPAC name is 6-(4,4,4-trifluorobutoxy)quinolin-5-amine.

Molecular Properties

Compound Name6-(4,4,4-trifluorobutoxy)quinolin-5-amine
PubChem CID82788005
Molecular FormulaC13H13F3N2O
Molecular Weight270.25 g/mol
Exact Mass270.10
IUPAC Name6-(4,4,4-trifluorobutoxy)quinolin-5-amine
SMILESNc1c(OCCCC(F)(F)F)ccc2ncccc12
InChIInChI=1S/C13H13F3N2O/c14-13(15,16)6-2-8-19-11-5-4-10-9(12(11)17)3-1-7-18-10/h1,3-5,7H,2,6,8,17H2
InChIKeyPIHIARNOEMNPIB-UHFFFAOYSA-N
XLogP3.54
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4,4,4-trifluorobutoxy)quinolin-8-amine
CID 83060485
6-(2-pyrrolidin-1-ylethoxy)quinolin-5-amine
CID 61102865
6-phenylmethoxyquinolin-5-amine
CID 43809775
2-amino-3-(4,4,4-trifluorobutoxy)phenol
CID 114764271
8-(4,4,4-trifluorobutoxy)isoquinolin-5-amine
CID 103140102
(5-aminoquinolin-6-yl) hydrogen carbonate
CID 70482347
4-(3,3,3-trifluoropropoxy)naphthalen-1-amine
CID 64552253
3-bromo-2-(4,4,4-trifluorobutoxy)pyridine
CID 82788804
6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]quinolin-5-amine
CID 103174392
6-(2-fluoro-3-methylphenoxy)quinolin-5-amine
CID 107655430
3-(4,4,4-trifluorobutoxymethyl)pyridin-2-amine
CID 82792853
6-(2-iodophenoxy)quinolin-5-amine
CID 43809889

Frequently Asked Questions

What is the IUPAC name of 6-(4,4,4-trifluorobutoxy)quinolin-5-amine?
The IUPAC name of 6-(4,4,4-trifluorobutoxy)quinolin-5-amine (CID 82788005) is 6-(4,4,4-trifluorobutoxy)quinolin-5-amine.
What is the SMILES notation for 6-(4,4,4-trifluorobutoxy)quinolin-5-amine?
The canonical SMILES for 6-(4,4,4-trifluorobutoxy)quinolin-5-amine is Nc1c(OCCCC(F)(F)F)ccc2ncccc12.
What is the InChIKey of 6-(4,4,4-trifluorobutoxy)quinolin-5-amine?
The InChIKey is PIHIARNOEMNPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O/c14-13(15,16)6-2-8-19-11-5-4-10-9(12(11)17)3-1-7-18-10/h1,3-5,7H,2,6,8,17H2.
What are the key properties of 6-(4,4,4-trifluorobutoxy)quinolin-5-amine?
6-(4,4,4-trifluorobutoxy)quinolin-5-amine has a molecular weight of 270.25 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4,4-trifluorobutoxy)quinolin-5-amine is sourced from PubChem (CID 82788005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).