6-(4,4,4-trifluorobutoxymethyl)pyridin-2-amine

C10H13F3N2O — CID 82792739

IUPAC6-(4,4,4-trifluorobutoxymethyl)pyridin-2-amine
SMILESNc1cccc(COCCCC(F)(F)F)n1
InChIInChI=1S/C10H13F3N2O/c11-10(12,13)5-2-6-16-7-8-3-1-4-9(14)15-8/h1,3-4H,2,5-7H2,(H2,14,15)
InChIKeySCHOUUHIXVDDOP-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.52
Rot. Bonds5

About 6-(4,4,4-trifluorobutoxymethyl)pyridin-2-amine

6-(4,4,4-trifluorobutoxymethyl)pyridin-2-amine (PubChem CID 82792739) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 6-(4,4,4-trifluorobutoxymethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-(4,4,4-trifluorobutoxymethyl)pyridin-2-amine
PubChem CID82792739
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name6-(4,4,4-trifluorobutoxymethyl)pyridin-2-amine
SMILESNc1cccc(COCCCC(F)(F)F)n1
InChIInChI=1S/C10H13F3N2O/c11-10(12,13)5-2-6-16-7-8-3-1-4-9(14)15-8/h1,3-4H,2,5-7H2,(H2,14,15)
InChIKeySCHOUUHIXVDDOP-UHFFFAOYSA-N
XLogP2.52
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(4,4,4-trifluorobutoxymethyl)pyridin-2-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

6-[2-[2-[(6-amino-2-pyridinyl)methoxy]ethoxy]ethoxymethyl]pyridin-2-amine
CID 102588999
6-(10,10,10-trifluorodecyl)pyridin-2-amine
CID 151361803
6-(4,4,4-trifluorobutoxymethyl)pyridine-2-carbohydrazide
CID 106908961
6-(2-butoxyethoxymethyl)pyridin-2-amine
CID 79238771
3-(4,4,4-trifluorobutoxymethyl)pyridin-2-amine
CID 82792853
6-(1,1,1-trifluoropropan-2-yloxymethyl)pyridin-2-amine
CID 79239982
6-[(2-methylpropan-2-yl)oxymethyl]pyridin-2-amine
CID 79239110
2-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
CID 116798000
N-[[6-(3,3,3-trifluoropropoxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106908609
N-propyl-6-(3,3,3-trifluoropropoxymethyl)pyridin-2-amine
CID 82957468
1-naphthalen-1-yl-2-(4,4,4-trifluorobutoxy)ethanamine
CID 82781742
2-(4,4,4-trifluorobutoxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 82791715

Frequently Asked Questions

What is the IUPAC name of 6-(4,4,4-trifluorobutoxymethyl)pyridin-2-amine?
The IUPAC name of 6-(4,4,4-trifluorobutoxymethyl)pyridin-2-amine (CID 82792739) is 6-(4,4,4-trifluorobutoxymethyl)pyridin-2-amine.
What is the SMILES notation for 6-(4,4,4-trifluorobutoxymethyl)pyridin-2-amine?
The canonical SMILES for 6-(4,4,4-trifluorobutoxymethyl)pyridin-2-amine is Nc1cccc(COCCCC(F)(F)F)n1.
What is the InChIKey of 6-(4,4,4-trifluorobutoxymethyl)pyridin-2-amine?
The InChIKey is SCHOUUHIXVDDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c11-10(12,13)5-2-6-16-7-8-3-1-4-9(14)15-8/h1,3-4H,2,5-7H2,(H2,14,15).
What are the key properties of 6-(4,4,4-trifluorobutoxymethyl)pyridin-2-amine?
6-(4,4,4-trifluorobutoxymethyl)pyridin-2-amine has a molecular weight of 234.22 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4,4-trifluorobutoxymethyl)pyridin-2-amine is sourced from PubChem (CID 82792739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).