4-(4,4,4-trifluorobutoxy)quinolin-8-amine

C13H13F3N2O — CID 83060485

IUPAC4-(4,4,4-trifluorobutoxy)quinolin-8-amine
SMILESNc1cccc2c(OCCCC(F)(F)F)ccnc12
InChIInChI=1S/C13H13F3N2O/c14-13(15,16)6-2-8-19-11-5-7-18-12-9(11)3-1-4-10(12)17/h1,3-5,7H,2,6,8,17H2
InChIKeyAUDXLQFUUJXSDY-UHFFFAOYSA-N
MW270.25 g/mol
LogP3.54
Rot. Bonds4

About 4-(4,4,4-trifluorobutoxy)quinolin-8-amine

4-(4,4,4-trifluorobutoxy)quinolin-8-amine (PubChem CID 83060485) has the molecular formula C13H13F3N2O and a molecular weight of 270.25 g/mol. Its IUPAC name is 4-(4,4,4-trifluorobutoxy)quinolin-8-amine.

Molecular Properties

Compound Name4-(4,4,4-trifluorobutoxy)quinolin-8-amine
PubChem CID83060485
Molecular FormulaC13H13F3N2O
Molecular Weight270.25 g/mol
Exact Mass270.10
IUPAC Name4-(4,4,4-trifluorobutoxy)quinolin-8-amine
SMILESNc1cccc2c(OCCCC(F)(F)F)ccnc12
InChIInChI=1S/C13H13F3N2O/c14-13(15,16)6-2-8-19-11-5-7-18-12-9(11)3-1-4-10(12)17/h1,3-5,7H,2,6,8,17H2
InChIKeyAUDXLQFUUJXSDY-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

6-(4,4,4-trifluorobutoxy)quinolin-5-amine
CID 82788005
4-[4-(trifluoromethyl)phenoxy]quinolin-8-amine
CID 71678550
5-(3,3-dimethylbutoxy)quinolin-8-amine
CID 66233789
4-(cyclopentylmethoxy)quinolin-8-amine
CID 83060698
8-(4,4,4-trifluorobutoxy)isoquinolin-5-amine
CID 103140102
4-propan-2-yloxyquinolin-8-amine
CID 83060477
4-[2-fluoro-5-(trifluoromethyl)phenoxy]quinolin-8-amine
CID 86692246
4-(3,3,3-trifluoropropoxy)naphthalen-1-amine
CID 64552253
2-amino-3-(4,4,4-trifluorobutoxy)phenol
CID 114764271
4-(3-methylbutan-2-yloxy)quinolin-8-amine
CID 83060997
3-methyl-4-(4,4,4-trifluorobutoxy)aniline
CID 115517821
5-(3-pyridin-4-ylpropoxy)quinolin-8-amine
CID 43449674

Frequently Asked Questions

What is the IUPAC name of 4-(4,4,4-trifluorobutoxy)quinolin-8-amine?
The IUPAC name of 4-(4,4,4-trifluorobutoxy)quinolin-8-amine (CID 83060485) is 4-(4,4,4-trifluorobutoxy)quinolin-8-amine.
What is the SMILES notation for 4-(4,4,4-trifluorobutoxy)quinolin-8-amine?
The canonical SMILES for 4-(4,4,4-trifluorobutoxy)quinolin-8-amine is Nc1cccc2c(OCCCC(F)(F)F)ccnc12.
What is the InChIKey of 4-(4,4,4-trifluorobutoxy)quinolin-8-amine?
The InChIKey is AUDXLQFUUJXSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O/c14-13(15,16)6-2-8-19-11-5-7-18-12-9(11)3-1-4-10(12)17/h1,3-5,7H,2,6,8,17H2.
What are the key properties of 4-(4,4,4-trifluorobutoxy)quinolin-8-amine?
4-(4,4,4-trifluorobutoxy)quinolin-8-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 4-(4,4,4-trifluorobutoxy)quinolin-8-amine is sourced from PubChem (CID 83060485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).