6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine

C7H11F2N5O — CID 103206963

IUPAC6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(CCOCC(F)F)n1
InChIInChI=1S/C7H11F2N5O/c8-4(9)3-15-2-1-5-12-6(10)14-7(11)13-5/h4H,1-3H2,(H4,10,11,12,13,14)
InChIKeyAIKDDEPRRCVZQH-UHFFFAOYSA-N
MW219.19 g/mol
LogP-0.14
Rot. Bonds5

About 6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine

6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 103206963) has the molecular formula C7H11F2N5O and a molecular weight of 219.19 g/mol. Its IUPAC name is 6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID103206963
Molecular FormulaC7H11F2N5O
Molecular Weight219.19 g/mol
Exact Mass219.09
IUPAC Name6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(CCOCC(F)F)n1
InChIInChI=1S/C7H11F2N5O/c8-4(9)3-15-2-1-5-12-6(10)14-7(11)13-5/h4H,1-3H2,(H4,10,11,12,13,14)
InChIKeyAIKDDEPRRCVZQH-UHFFFAOYSA-N
XLogP-0.14
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
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 6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine (CID 103206963) is 6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(CCOCC(F)F)n1.
What is the InChIKey of 6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is AIKDDEPRRCVZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N5O/c8-4(9)3-15-2-1-5-12-6(10)14-7(11)13-5/h4H,1-3H2,(H4,10,11,12,13,14).
What are the key properties of 6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine?
6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 219.19 g/mol, XLogP of -0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 103206963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).