2,2,3,3-tetrafluoro-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine

C10H13F4N3 — CID 106289960

IUPAC2,2,3,3-tetrafluoro-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine
SMILESCc1nccnc1C(C)NCC(F)(F)C(F)F
InChIInChI=1S/C10H13F4N3/c1-6-8(16-4-3-15-6)7(2)17-5-10(13,14)9(11)12/h3-4,7,9,17H,5H2,1-2H3
InChIKeyDHJPENFYMNAAQD-UHFFFAOYSA-N
MW251.23 g/mol
LogP2.34
Rot. Bonds5

About 2,2,3,3-tetrafluoro-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine

2,2,3,3-tetrafluoro-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine (PubChem CID 106289960) has the molecular formula C10H13F4N3 and a molecular weight of 251.23 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine
PubChem CID106289960
Molecular FormulaC10H13F4N3
Molecular Weight251.23 g/mol
Exact Mass251.10
IUPAC Name2,2,3,3-tetrafluoro-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine
SMILESCc1nccnc1C(C)NCC(F)(F)C(F)F
InChIInChI=1S/C10H13F4N3/c1-6-8(16-4-3-15-6)7(2)17-5-10(13,14)9(11)12/h3-4,7,9,17H,5H2,1-2H3
InChIKeyDHJPENFYMNAAQD-UHFFFAOYSA-N
XLogP2.34
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.23
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine?
The IUPAC name of 2,2,3,3-tetrafluoro-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine (CID 106289960) is 2,2,3,3-tetrafluoro-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine is Cc1nccnc1C(C)NCC(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine?
The InChIKey is DHJPENFYMNAAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F4N3/c1-6-8(16-4-3-15-6)7(2)17-5-10(13,14)9(11)12/h3-4,7,9,17H,5H2,1-2H3.
What are the key properties of 2,2,3,3-tetrafluoro-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine?
2,2,3,3-tetrafluoro-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine has a molecular weight of 251.23 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 106289960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).