2-pyridin-4-yl-N-(2,2,2-trifluoroethoxy)ethanamine

C9H11F3N2O — CID 82721751

IUPAC2-pyridin-4-yl-N-(2,2,2-trifluoroethoxy)ethanamine
SMILESFC(F)(F)CONCCc1ccncc1
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)7-15-14-6-3-8-1-4-13-5-2-8/h1-2,4-5,14H,3,6-7H2
InChIKeyWCUIAQTUVLMNJQ-UHFFFAOYSA-N
MW220.19 g/mol
LogP1.71
Rot. Bonds5

About 2-pyridin-4-yl-N-(2,2,2-trifluoroethoxy)ethanamine

2-pyridin-4-yl-N-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 82721751) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 2-pyridin-4-yl-N-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name2-pyridin-4-yl-N-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID82721751
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name2-pyridin-4-yl-N-(2,2,2-trifluoroethoxy)ethanamine
SMILESFC(F)(F)CONCCc1ccncc1
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)7-15-14-6-3-8-1-4-13-5-2-8/h1-2,4-5,14H,3,6-7H2
InChIKeyWCUIAQTUVLMNJQ-UHFFFAOYSA-N
XLogP1.71
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-pyridin-4-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 55031740
N-(2-pyridin-4-ylethyl)thiohydroxylamine
CID 146641300
N-(2-pyridin-4-ylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 54943560
N-(2-pyridin-4-ylethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 3758461
3-chloro-N-(2-pyridin-4-ylethyl)-5-(trifluoromethyl)aniline
CID 116699570
2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 60647921
4-propan-2-yloxy-N-(2-pyridin-4-ylethyl)aniline
CID 60863119
4-(2-pyridin-4-ylethyl)pyridine;hydrochloride
CID 18530302
4-(2-pyridin-4-ylethyl)pyridine;dihydrochloride
CID 131859960
2-methoxy-2-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine
CID 104760595
2-phenyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 60733353
1-(4-bromophenyl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 82712089

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-N-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 2-pyridin-4-yl-N-(2,2,2-trifluoroethoxy)ethanamine (CID 82721751) is 2-pyridin-4-yl-N-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 2-pyridin-4-yl-N-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 2-pyridin-4-yl-N-(2,2,2-trifluoroethoxy)ethanamine is FC(F)(F)CONCCc1ccncc1.
What is the InChIKey of 2-pyridin-4-yl-N-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is WCUIAQTUVLMNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c10-9(11,12)7-15-14-6-3-8-1-4-13-5-2-8/h1-2,4-5,14H,3,6-7H2.
What are the key properties of 2-pyridin-4-yl-N-(2,2,2-trifluoroethoxy)ethanamine?
2-pyridin-4-yl-N-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 220.19 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-N-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 82721751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).