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

C10H12F4N4O — CID 103476937

IUPAC4-cyclopropyl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(COCC(F)(F)C(F)F)nc(C2CC2)n1
InChIInChI=1S/C10H12F4N4O/c11-8(12)10(13,14)4-19-3-6-16-7(5-1-2-5)18-9(15)17-6/h5,8H,1-4H2,(H2,15,16,17,18)
InChIKeyFWOARWAEXKBNBG-UHFFFAOYSA-N
MW280.22 g/mol
LogP1.75
Rot. Bonds6

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

4-cyclopropyl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine (PubChem CID 103476937) has the molecular formula C10H12F4N4O and a molecular weight of 280.22 g/mol. Its IUPAC name is 4-cyclopropyl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine
PubChem CID103476937
Molecular FormulaC10H12F4N4O
Molecular Weight280.22 g/mol
Exact Mass280.09
IUPAC Name4-cyclopropyl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(COCC(F)(F)C(F)F)nc(C2CC2)n1
InChIInChI=1S/C10H12F4N4O/c11-8(12)10(13,14)4-19-3-6-16-7(5-1-2-5)18-9(15)17-6/h5,8H,1-4H2,(H2,15,16,17,18)
InChIKeyFWOARWAEXKBNBG-UHFFFAOYSA-N
XLogP1.75
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.22
LogP ≤ 51.75
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-cyclopropyl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-cyclopropyl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine (CID 103476937) is 4-cyclopropyl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cyclopropyl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cyclopropyl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine is Nc1nc(COCC(F)(F)C(F)F)nc(C2CC2)n1.
What is the InChIKey of 4-cyclopropyl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine?
The InChIKey is FWOARWAEXKBNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F4N4O/c11-8(12)10(13,14)4-19-3-6-16-7(5-1-2-5)18-9(15)17-6/h5,8H,1-4H2,(H2,15,16,17,18).
What are the key properties of 4-cyclopropyl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine?
4-cyclopropyl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine has a molecular weight of 280.22 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 103476937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).