1-(3-methoxypyrazin-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine

C10H13F4N3O2 — CID 103475013

IUPAC1-(3-methoxypyrazin-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESCOc1nccnc1C(N)COCC(F)(F)C(F)F
InChIInChI=1S/C10H13F4N3O2/c1-18-8-7(16-2-3-17-8)6(15)4-19-5-10(13,14)9(11)12/h2-3,6,9H,4-5,15H2,1H3
InChIKeySNWDWGTXBRKWMU-UHFFFAOYSA-N
MW283.23 g/mol
LogP1.40
Rot. Bonds7

About 1-(3-methoxypyrazin-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine

1-(3-methoxypyrazin-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine (PubChem CID 103475013) has the molecular formula C10H13F4N3O2 and a molecular weight of 283.23 g/mol. Its IUPAC name is 1-(3-methoxypyrazin-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine.

Molecular Properties

Compound Name1-(3-methoxypyrazin-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
PubChem CID103475013
Molecular FormulaC10H13F4N3O2
Molecular Weight283.23 g/mol
Exact Mass283.09
IUPAC Name1-(3-methoxypyrazin-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESCOc1nccnc1C(N)COCC(F)(F)C(F)F
InChIInChI=1S/C10H13F4N3O2/c1-18-8-7(16-2-3-17-8)6(15)4-19-5-10(13,14)9(11)12/h2-3,6,9H,4-5,15H2,1H3
InChIKeySNWDWGTXBRKWMU-UHFFFAOYSA-N
XLogP1.40
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.23
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-Methoxypyrazin-2-yl)ethan-1-amine
CID 119094858
1-(6-Methyl-5-(2,2,2-trifluoroethoxy)pyrazin-2-yl)ethanamine hydrochloride
CID 89875210
2-ethoxy-3-[2-(trifluoromethyl)-1H-pyrazin-2-yl]pyrazine
CID 173928607
1-[6-Methyl-5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethanamine
CID 89875211
1-(3-methoxypyrazin-2-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148360
N-ethyl-1-(3-methoxypyrazin-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148577
1-(3-methoxypyrazin-2-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148740
3-(2,2-difluoroethoxy)-1-(3-methoxypyrazin-2-yl)-N-methylpropan-1-amine
CID 103149316
3-(2,2-difluoroethoxy)-N-ethyl-1-(3-methoxypyrazin-2-yl)propan-1-amine
CID 103149654
3-(2,2-difluoroethoxy)-1-(3-methoxypyrazin-2-yl)-N-propylpropan-1-amine
CID 103149941
N-ethyl-1-pyrazin-2-yl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215347
1-Pyrazin-2-yl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215348

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypyrazin-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The IUPAC name of 1-(3-methoxypyrazin-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine (CID 103475013) is 1-(3-methoxypyrazin-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine.
What is the SMILES notation for 1-(3-methoxypyrazin-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The canonical SMILES for 1-(3-methoxypyrazin-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine is COc1nccnc1C(N)COCC(F)(F)C(F)F.
What is the InChIKey of 1-(3-methoxypyrazin-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The InChIKey is SNWDWGTXBRKWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F4N3O2/c1-18-8-7(16-2-3-17-8)6(15)4-19-5-10(13,14)9(11)12/h2-3,6,9H,4-5,15H2,1H3.
What are the key properties of 1-(3-methoxypyrazin-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
1-(3-methoxypyrazin-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine has a molecular weight of 283.23 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypyrazin-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine is sourced from PubChem (CID 103475013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).