5-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine

C9H10F4N2O — CID 63827023

IUPAC5-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine
SMILESFc1ccc(NCCOCC(F)(F)F)nc1
InChIInChI=1S/C9H10F4N2O/c10-7-1-2-8(15-5-7)14-3-4-16-6-9(11,12)13/h1-2,5H,3-4,6H2,(H,14,15)
InChIKeyMBSNAHZBUOWMLI-UHFFFAOYSA-N
MW238.18 g/mol
LogP2.21
Rot. Bonds5

About 5-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine

5-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine (PubChem CID 63827023) has the molecular formula C9H10F4N2O and a molecular weight of 238.18 g/mol. Its IUPAC name is 5-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine
PubChem CID63827023
Molecular FormulaC9H10F4N2O
Molecular Weight238.18 g/mol
Exact Mass238.07
IUPAC Name5-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine
SMILESFc1ccc(NCCOCC(F)(F)F)nc1
InChIInChI=1S/C9H10F4N2O/c10-7-1-2-8(15-5-7)14-3-4-16-6-9(11,12)13/h1-2,5H,3-4,6H2,(H,14,15)
InChIKeyMBSNAHZBUOWMLI-UHFFFAOYSA-N
XLogP2.21
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.18
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-3-carboxamide
CID 78956359
N-[3-(2-aminoethoxy)propyl]-5-fluoropyridin-2-amine
CID 106308279
5-fluoro-N-(2-fluoroethyl)pyridin-2-amine
CID 130504146
6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-amine
CID 63828976
6-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-3-amine
CID 54962267
4-[(5-fluoro-2-pyridinyl)amino]-2-methylbutan-2-ol
CID 130561119
5-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-2-carboxylic acid
CID 115490932
4-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
CID 61492242
5-fluoro-N-(2-methylsulfonylethyl)pyridin-2-amine
CID 61313739
4-N-[2-(2,2,2-trifluoroethoxy)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565117
6-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine
CID 55259536
tert-butyl N-[2-[(5-fluoro-2-pyridinyl)amino]ethyl]carbamate
CID 114518182

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine?
The IUPAC name of 5-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine (CID 63827023) is 5-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine.
What is the SMILES notation for 5-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine?
The canonical SMILES for 5-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine is Fc1ccc(NCCOCC(F)(F)F)nc1.
What is the InChIKey of 5-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine?
The InChIKey is MBSNAHZBUOWMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F4N2O/c10-7-1-2-8(15-5-7)14-3-4-16-6-9(11,12)13/h1-2,5H,3-4,6H2,(H,14,15).
What are the key properties of 5-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine?
5-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine has a molecular weight of 238.18 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine is sourced from PubChem (CID 63827023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).