4-propan-2-yl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine

C10H14F4N4O — CID 103476935

IUPAC4-propan-2-yl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine
SMILESCC(C)c1nc(N)nc(COCC(F)(F)C(F)F)n1
InChIInChI=1S/C10H14F4N4O/c1-5(2)7-16-6(17-9(15)18-7)3-19-4-10(13,14)8(11)12/h5,8H,3-4H2,1-2H3,(H2,15,16,17,18)
InChIKeyVJYPKBYQEPSMDF-UHFFFAOYSA-N
MW282.24 g/mol
LogP1.99
Rot. Bonds6

About 4-propan-2-yl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine

4-propan-2-yl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine (PubChem CID 103476935) has the molecular formula C10H14F4N4O and a molecular weight of 282.24 g/mol. Its IUPAC name is 4-propan-2-yl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-propan-2-yl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine
PubChem CID103476935
Molecular FormulaC10H14F4N4O
Molecular Weight282.24 g/mol
Exact Mass282.11
IUPAC Name4-propan-2-yl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine
SMILESCC(C)c1nc(N)nc(COCC(F)(F)C(F)F)n1
InChIInChI=1S/C10H14F4N4O/c1-5(2)7-16-6(17-9(15)18-7)3-19-4-10(13,14)8(11)12/h5,8H,3-4H2,1-2H3,(H2,15,16,17,18)
InChIKeyVJYPKBYQEPSMDF-UHFFFAOYSA-N
XLogP1.99
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.24
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 4-propan-2-yl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-propan-2-yl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine (CID 103476935) is 4-propan-2-yl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-propan-2-yl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-propan-2-yl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine is CC(C)c1nc(N)nc(COCC(F)(F)C(F)F)n1.
What is the InChIKey of 4-propan-2-yl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine?
The InChIKey is VJYPKBYQEPSMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F4N4O/c1-5(2)7-16-6(17-9(15)18-7)3-19-4-10(13,14)8(11)12/h5,8H,3-4H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-propan-2-yl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine?
4-propan-2-yl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine has a molecular weight of 282.24 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 103476935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).