2-N,2-N-diethyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine-2,4-diamine

C11H18F3N5O — CID 82795125

IUPAC2-N,2-N-diethyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(N)nc(OCCCC(F)(F)F)n1
InChIInChI=1S/C11H18F3N5O/c1-3-19(4-2)9-16-8(15)17-10(18-9)20-7-5-6-11(12,13)14/h3-7H2,1-2H3,(H2,15,16,17,18)
InChIKeyBMMFAPQCEUCSCR-UHFFFAOYSA-N
MW293.29 g/mol
LogP2.02
Rot. Bonds7

About 2-N,2-N-diethyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine-2,4-diamine

2-N,2-N-diethyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine-2,4-diamine (PubChem CID 82795125) has the molecular formula C11H18F3N5O and a molecular weight of 293.29 g/mol. Its IUPAC name is 2-N,2-N-diethyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine-2,4-diamine
PubChem CID82795125
Molecular FormulaC11H18F3N5O
Molecular Weight293.29 g/mol
Exact Mass293.15
IUPAC Name2-N,2-N-diethyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(N)nc(OCCCC(F)(F)F)n1
InChIInChI=1S/C11H18F3N5O/c1-3-19(4-2)9-16-8(15)17-10(18-9)20-7-5-6-11(12,13)14/h3-7H2,1-2H3,(H2,15,16,17,18)
InChIKeyBMMFAPQCEUCSCR-UHFFFAOYSA-N
XLogP2.02
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-diethyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine-2,4-diamine (CID 82795125) is 2-N,2-N-diethyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-diethyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(N)nc(OCCCC(F)(F)F)n1.
What is the InChIKey of 2-N,2-N-diethyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine-2,4-diamine?
The InChIKey is BMMFAPQCEUCSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N5O/c1-3-19(4-2)9-16-8(15)17-10(18-9)20-7-5-6-11(12,13)14/h3-7H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-N,2-N-diethyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine-2,4-diamine?
2-N,2-N-diethyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine-2,4-diamine has a molecular weight of 293.29 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 82795125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).