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

C10H13F4N3O — CID 66449615

IUPACN-[[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]ethanamine
SMILESCCNCc1cncc(OCC(F)(F)C(F)F)n1
InChIInChI=1S/C10H13F4N3O/c1-2-15-3-7-4-16-5-8(17-7)18-6-10(13,14)9(11)12/h4-5,9,15H,2-3,6H2,1H3
InChIKeyLFDGQSKBSPASJM-UHFFFAOYSA-N
MW267.23 g/mol
LogP1.87
Rot. Bonds7

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

N-[[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]ethanamine (PubChem CID 66449615) has the molecular formula C10H13F4N3O and a molecular weight of 267.23 g/mol. Its IUPAC name is N-[[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]ethanamine
PubChem CID66449615
Molecular FormulaC10H13F4N3O
Molecular Weight267.23 g/mol
Exact Mass267.10
IUPAC NameN-[[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]ethanamine
SMILESCCNCc1cncc(OCC(F)(F)C(F)F)n1
InChIInChI=1S/C10H13F4N3O/c1-2-15-3-7-4-16-5-8(17-7)18-6-10(13,14)9(11)12/h4-5,9,15H,2-3,6H2,1H3
InChIKeyLFDGQSKBSPASJM-UHFFFAOYSA-N
XLogP1.87
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.23
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methyl]ethanamine
CID 66467965
N-[[6-(2-propan-2-yloxyethoxy)pyrazin-2-yl]methyl]ethanamine
CID 66450004
N-[[6-(cyclohexylmethoxy)pyrazin-2-yl]methyl]ethanamine
CID 66467272
N-[[6-[(4-methoxyphenyl)methoxy]pyrazin-2-yl]methyl]ethanamine
CID 66449623
N-[[6-[(2-bromophenyl)methoxy]pyrazin-2-yl]methyl]ethanamine
CID 82832374
N-[[6-(2-methylpropoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 66449996
N-[[5-(2,2,3,3-tetrafluoropropoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 80624476
N-[[6-(2,3-difluorophenoxy)pyrazin-2-yl]methyl]ethanamine
CID 66466578
N-[(6-ethoxypyrazin-2-yl)methyl]propan-2-amine
CID 66450778
1-[6-[(tert-butylamino)methyl]pyrazin-2-yl]oxy-N,N,2-trimethylpropan-2-amine
CID 79678942
2-ethyl-6-(2-iodo-2-methylpropoxy)pyrazine
CID 163928378
2-tert-butyl-N-ethyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine
CID 80956887

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]ethanamine?
The IUPAC name of N-[[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]ethanamine (CID 66449615) is N-[[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]ethanamine is CCNCc1cncc(OCC(F)(F)C(F)F)n1.
What is the InChIKey of N-[[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]ethanamine?
The InChIKey is LFDGQSKBSPASJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F4N3O/c1-2-15-3-7-4-16-5-8(17-7)18-6-10(13,14)9(11)12/h4-5,9,15H,2-3,6H2,1H3.
What are the key properties of N-[[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]ethanamine?
N-[[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]ethanamine has a molecular weight of 267.23 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]ethanamine is sourced from PubChem (CID 66449615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).