N-methyl-1-[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methanamine

C9H11F4N3O — CID 66449613

IUPACN-methyl-1-[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methanamine
SMILESCNCc1cncc(OCC(F)(F)C(F)F)n1
InChIInChI=1S/C9H11F4N3O/c1-14-2-6-3-15-4-7(16-6)17-5-9(12,13)8(10)11/h3-4,8,14H,2,5H2,1H3
InChIKeyPXPGEWYMACHSBC-UHFFFAOYSA-N
MW253.20 g/mol
LogP1.48
Rot. Bonds6

About N-methyl-1-[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methanamine

N-methyl-1-[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methanamine (PubChem CID 66449613) has the molecular formula C9H11F4N3O and a molecular weight of 253.20 g/mol. Its IUPAC name is N-methyl-1-[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methanamine
PubChem CID66449613
Molecular FormulaC9H11F4N3O
Molecular Weight253.20 g/mol
Exact Mass253.08
IUPAC NameN-methyl-1-[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methanamine
SMILESCNCc1cncc(OCC(F)(F)C(F)F)n1
InChIInChI=1S/C9H11F4N3O/c1-14-2-6-3-15-4-7(16-6)17-5-9(12,13)8(10)11/h3-4,8,14H,2,5H2,1H3
InChIKeyPXPGEWYMACHSBC-UHFFFAOYSA-N
XLogP1.48
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.20
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-methyl-1-[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methanamine (CID 66449613) is N-methyl-1-[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methanamine is CNCc1cncc(OCC(F)(F)C(F)F)n1.
What is the InChIKey of N-methyl-1-[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methanamine?
The InChIKey is PXPGEWYMACHSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F4N3O/c1-14-2-6-3-15-4-7(16-6)17-5-9(12,13)8(10)11/h3-4,8,14H,2,5H2,1H3.
What are the key properties of N-methyl-1-[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methanamine?
N-methyl-1-[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methanamine has a molecular weight of 253.20 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methanamine is sourced from PubChem (CID 66449613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).