6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-prop-2-enyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine

C15H21F6N5O — CID 17065366

IUPAC6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-prop-2-enyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N(CCC)CCC)n1
InChIInChI=1S/C15H21F6N5O/c1-4-7-22-11-23-12(26(8-5-2)9-6-3)25-13(24-11)27-10(14(16,17)18)15(19,20)21/h4,10H,1,5-9H2,2-3H3,(H,22,23,24,25)
InChIKeyGDXFCNIERJRDNZ-UHFFFAOYSA-N
MW401.36 g/mol
LogP3.97
Rot. Bonds10

About 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-prop-2-enyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine

6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-prop-2-enyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine (PubChem CID 17065366) has the molecular formula C15H21F6N5O and a molecular weight of 401.36 g/mol. Its IUPAC name is 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-prop-2-enyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-prop-2-enyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine
PubChem CID17065366
Molecular FormulaC15H21F6N5O
Molecular Weight401.36 g/mol
Exact Mass401.17
IUPAC Name6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-prop-2-enyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N(CCC)CCC)n1
InChIInChI=1S/C15H21F6N5O/c1-4-7-22-11-23-12(26(8-5-2)9-6-3)25-13(24-11)27-10(14(16,17)18)15(19,20)21/h4,10H,1,5-9H2,2-3H3,(H,22,23,24,25)
InChIKeyGDXFCNIERJRDNZ-UHFFFAOYSA-N
XLogP3.97
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.36
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-prop-2-enyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-prop-2-enyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine (CID 17065366) is 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-prop-2-enyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-prop-2-enyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-prop-2-enyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine is C=CCNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N(CCC)CCC)n1.
What is the InChIKey of 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-prop-2-enyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine?
The InChIKey is GDXFCNIERJRDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F6N5O/c1-4-7-22-11-23-12(26(8-5-2)9-6-3)25-13(24-11)27-10(14(16,17)18)15(19,20)21/h4,10H,1,5-9H2,2-3H3,(H,22,23,24,25).
What are the key properties of 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-prop-2-enyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine?
6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-prop-2-enyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine has a molecular weight of 401.36 g/mol, XLogP of 3.97, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-prop-2-enyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 17065366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).