5-(4,4,4-trifluorobutoxy)pyridin-3-amine

C9H11F3N2O — CID 104536992

IUPAC5-(4,4,4-trifluorobutoxy)pyridin-3-amine
SMILESNc1cncc(OCCCC(F)(F)F)c1
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)2-1-3-15-8-4-7(13)5-14-6-8/h4-6H,1-3,13H2
InChIKeyDKVUPVSKVMJTDW-UHFFFAOYSA-N
MW220.19 g/mol
LogP2.39
Rot. Bonds4

About 5-(4,4,4-trifluorobutoxy)pyridin-3-amine

5-(4,4,4-trifluorobutoxy)pyridin-3-amine (PubChem CID 104536992) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 5-(4,4,4-trifluorobutoxy)pyridin-3-amine.

Molecular Properties

Compound Name5-(4,4,4-trifluorobutoxy)pyridin-3-amine
PubChem CID104536992
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name5-(4,4,4-trifluorobutoxy)pyridin-3-amine
SMILESNc1cncc(OCCCC(F)(F)F)c1
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)2-1-3-15-8-4-7(13)5-14-6-8/h4-6H,1-3,13H2
InChIKeyDKVUPVSKVMJTDW-UHFFFAOYSA-N
XLogP2.39
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(4,4,4-trifluorobutoxy)pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-octoxypyridin-3-amine
CID 104536057
3-(4,4,4-trifluorobutoxy)pyridine
CID 112558625
4-(4,4,4-trifluorobutoxy)benzene-1,2-diamine
CID 106748542
5-[2-(3-methoxypropoxy)ethoxy]pyridin-3-amine
CID 103176470
5-(methoxymethoxy)pyridin-3-amine
CID 174724923
5-amino-2-(4,4,4-trifluorobutoxy)pyridine-3-carboxamide
CID 82788853
5-(3,3,3-trifluoropropoxy)pyridine-3-carboxylic acid
CID 64553523
[5-(3,3,3-trifluoropropoxy)-3-pyridinyl]boronic acid
CID 64565282
5-phenylmethoxypyridin-3-amine
CID 22989735
2-chloro-5-(4,4,4-trifluorobutoxy)pyridine
CID 115519759
3-ethoxy-5-(3,3,3-trifluoropropoxy)aniline
CID 82954400
(1S)-1-[5-(4,4,4-trifluorobutoxy)-2-pyridinyl]ethanamine
CID 83123322

Frequently Asked Questions

What is the IUPAC name of 5-(4,4,4-trifluorobutoxy)pyridin-3-amine?
The IUPAC name of 5-(4,4,4-trifluorobutoxy)pyridin-3-amine (CID 104536992) is 5-(4,4,4-trifluorobutoxy)pyridin-3-amine.
What is the SMILES notation for 5-(4,4,4-trifluorobutoxy)pyridin-3-amine?
The canonical SMILES for 5-(4,4,4-trifluorobutoxy)pyridin-3-amine is Nc1cncc(OCCCC(F)(F)F)c1.
What is the InChIKey of 5-(4,4,4-trifluorobutoxy)pyridin-3-amine?
The InChIKey is DKVUPVSKVMJTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c10-9(11,12)2-1-3-15-8-4-7(13)5-14-6-8/h4-6H,1-3,13H2.
What are the key properties of 5-(4,4,4-trifluorobutoxy)pyridin-3-amine?
5-(4,4,4-trifluorobutoxy)pyridin-3-amine has a molecular weight of 220.19 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4,4-trifluorobutoxy)pyridin-3-amine is sourced from PubChem (CID 104536992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).