N-[2-(2,2-difluoroethoxy)ethyl]-1-pyrazin-2-ylethanamine

C10H15F2N3O — CID 103080648

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-1-pyrazin-2-ylethanamine
SMILESCC(NCCOCC(F)F)c1cnccn1
InChIInChI=1S/C10H15F2N3O/c1-8(9-6-13-2-3-15-9)14-4-5-16-7-10(11)12/h2-3,6,8,10,14H,4-5,7H2,1H3
InChIKeyXAMOXVXJQVGZOU-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.41
Rot. Bonds7

About N-[2-(2,2-difluoroethoxy)ethyl]-1-pyrazin-2-ylethanamine

N-[2-(2,2-difluoroethoxy)ethyl]-1-pyrazin-2-ylethanamine (PubChem CID 103080648) has the molecular formula C10H15F2N3O and a molecular weight of 231.25 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-1-pyrazin-2-ylethanamine.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-1-pyrazin-2-ylethanamine
PubChem CID103080648
Molecular FormulaC10H15F2N3O
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-1-pyrazin-2-ylethanamine
SMILESCC(NCCOCC(F)F)c1cnccn1
InChIInChI=1S/C10H15F2N3O/c1-8(9-6-13-2-3-15-9)14-4-5-16-7-10(11)12/h2-3,6,8,10,14H,4-5,7H2,1H3
InChIKeyXAMOXVXJQVGZOU-UHFFFAOYSA-N
XLogP1.41
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(2,2-difluoroethoxy)ethyl]-1-pyrazin-2-ylethanamine 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

(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethanamine
CID 59455302
(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethanamine;hydrochloride
CID 68488662
1-[5-(2,2,2-Trifluoroethoxy)pyrazin-2-yl]ethanamine
CID 72290042
2,2,2-trifluoro-N-(1-pyrazin-2-ylethyl)acetamide
CID 143807600
N-methyl-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethanamine
CID 146537710
1-[5-(2,2-difluoropropoxy)pyrazin-2-yl]-N-methylethanamine
CID 146538355
(R)-N-Methyl-1-(5-(trifluoromethyl)pyrazin-2-yl)ethan-1-amine
CID 163383034
1-(6-bromo-5-methoxypyrazin-2-yl)-N-ethyl-2,2,2-trifluoroethanamine
CID 164536686
(1R)-1-[5-(trifluoromethyl)pyrazin-2-yl]ethanamine
CID 167170818
2-methyl-N-[1-[5-(trifluoromethyl)pyrazin-2-yl]ethyl]propan-1-amine
CID 167220756
(1S)-1-[5-(trifluoromethyl)pyrazin-2-yl]ethanamine
CID 167249056
(S)-1-(5-(Trifluoromethyl)pyrazin-2-yl)ethan-1-amine hydrochloride
CID 170904330

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-1-pyrazin-2-ylethanamine?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-1-pyrazin-2-ylethanamine (CID 103080648) is N-[2-(2,2-difluoroethoxy)ethyl]-1-pyrazin-2-ylethanamine.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-1-pyrazin-2-ylethanamine?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-1-pyrazin-2-ylethanamine is CC(NCCOCC(F)F)c1cnccn1.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-1-pyrazin-2-ylethanamine?
The InChIKey is XAMOXVXJQVGZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3O/c1-8(9-6-13-2-3-15-9)14-4-5-16-7-10(11)12/h2-3,6,8,10,14H,4-5,7H2,1H3.
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-1-pyrazin-2-ylethanamine?
N-[2-(2,2-difluoroethoxy)ethyl]-1-pyrazin-2-ylethanamine has a molecular weight of 231.25 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)ethyl]-1-pyrazin-2-ylethanamine is sourced from PubChem (CID 103080648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).