2-(phenoxymethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine

C17H20F3N3O4 — CID 171557854

IUPAC2-(phenoxymethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
SMILESNc1cncc(C(F)(F)F)n1.OC1CCOC(COc2ccccc2)C1O
InChIInChI=1S/C12H16O4.C5H4F3N3/c13-10-6-7-15-11(12(10)14)8-16-9-4-2-1-3-5-9;6-5(7,8)3-1-10-2-4(9)11-3/h1-5,10-14H,6-8H2;1-2H,(H2,9,11)
InChIKeyGVXPFSLWTBMCHV-UHFFFAOYSA-N
MW387.36 g/mol
LogP1.65
Rot. Bonds3

About 2-(phenoxymethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine

2-(phenoxymethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine (PubChem CID 171557854) has the molecular formula C17H20F3N3O4 and a molecular weight of 387.36 g/mol. Its IUPAC name is 2-(phenoxymethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound Name2-(phenoxymethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
PubChem CID171557854
Molecular FormulaC17H20F3N3O4
Molecular Weight387.36 g/mol
Exact Mass387.14
IUPAC Name2-(phenoxymethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
SMILESNc1cncc(C(F)(F)F)n1.OC1CCOC(COc2ccccc2)C1O
InChIInChI=1S/C12H16O4.C5H4F3N3/c13-10-6-7-15-11(12(10)14)8-16-9-4-2-1-3-5-9;6-5(7,8)3-1-10-2-4(9)11-3/h1-5,10-14H,6-8H2;1-2H,(H2,9,11)
InChIKeyGVXPFSLWTBMCHV-UHFFFAOYSA-N
XLogP1.65
TPSA110.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(phenoxymethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine?
The IUPAC name of 2-(phenoxymethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine (CID 171557854) is 2-(phenoxymethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine.
What is the SMILES notation for 2-(phenoxymethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine?
The canonical SMILES for 2-(phenoxymethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine is Nc1cncc(C(F)(F)F)n1.OC1CCOC(COc2ccccc2)C1O.
What is the InChIKey of 2-(phenoxymethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine?
The InChIKey is GVXPFSLWTBMCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4.C5H4F3N3/c13-10-6-7-15-11(12(10)14)8-16-9-4-2-1-3-5-9;6-5(7,8)3-1-10-2-4(9)11-3/h1-5,10-14H,6-8H2;1-2H,(H2,9,11).
What are the key properties of 2-(phenoxymethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine?
2-(phenoxymethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine has a molecular weight of 387.36 g/mol, XLogP of 1.65, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenoxymethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 171557854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).