6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propylpyrazin-2-amine

C10H11F6N3O — CID 102723658

IUPAC6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propylpyrazin-2-amine
SMILESCCCNc1cncc(OC(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C10H11F6N3O/c1-2-3-18-6-4-17-5-7(19-6)20-8(9(11,12)13)10(14,15)16/h4-5,8H,2-3H2,1H3,(H,18,19)
InChIKeyRKSCOBCSPBZQBU-UHFFFAOYSA-N
MW303.21 g/mol
LogP3.17
Rot. Bonds5

About 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propylpyrazin-2-amine

6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propylpyrazin-2-amine (PubChem CID 102723658) has the molecular formula C10H11F6N3O and a molecular weight of 303.21 g/mol. Its IUPAC name is 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propylpyrazin-2-amine.

Molecular Properties

Compound Name6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propylpyrazin-2-amine
PubChem CID102723658
Molecular FormulaC10H11F6N3O
Molecular Weight303.21 g/mol
Exact Mass303.08
IUPAC Name6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propylpyrazin-2-amine
SMILESCCCNc1cncc(OC(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C10H11F6N3O/c1-2-3-18-6-4-17-5-7(19-6)20-8(9(11,12)13)10(14,15)16/h4-5,8H,2-3H2,1H3,(H,18,19)
InChIKeyRKSCOBCSPBZQBU-UHFFFAOYSA-N
XLogP3.17
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.21
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propylpyrazin-2-amine?
The IUPAC name of 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propylpyrazin-2-amine (CID 102723658) is 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propylpyrazin-2-amine.
What is the SMILES notation for 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propylpyrazin-2-amine?
The canonical SMILES for 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propylpyrazin-2-amine is CCCNc1cncc(OC(C(F)(F)F)C(F)(F)F)n1.
What is the InChIKey of 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propylpyrazin-2-amine?
The InChIKey is RKSCOBCSPBZQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F6N3O/c1-2-3-18-6-4-17-5-7(19-6)20-8(9(11,12)13)10(14,15)16/h4-5,8H,2-3H2,1H3,(H,18,19).
What are the key properties of 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propylpyrazin-2-amine?
6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propylpyrazin-2-amine has a molecular weight of 303.21 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propylpyrazin-2-amine is sourced from PubChem (CID 102723658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).