4-[2-(2,2-difluoroethoxy)ethyl]-6-propyl-1,3,5-triazin-2-amine

C10H16F2N4O — CID 103151157

IUPAC4-[2-(2,2-difluoroethoxy)ethyl]-6-propyl-1,3,5-triazin-2-amine
SMILESCCCc1nc(N)nc(CCOCC(F)F)n1
InChIInChI=1S/C10H16F2N4O/c1-2-3-8-14-9(16-10(13)15-8)4-5-17-6-7(11)12/h7H,2-6H2,1H3,(H2,13,14,15,16)
InChIKeyLPRPHYNKXCYVCC-UHFFFAOYSA-N
MW246.26 g/mol
LogP1.23
Rot. Bonds7

About 4-[2-(2,2-difluoroethoxy)ethyl]-6-propyl-1,3,5-triazin-2-amine

4-[2-(2,2-difluoroethoxy)ethyl]-6-propyl-1,3,5-triazin-2-amine (PubChem CID 103151157) has the molecular formula C10H16F2N4O and a molecular weight of 246.26 g/mol. Its IUPAC name is 4-[2-(2,2-difluoroethoxy)ethyl]-6-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[2-(2,2-difluoroethoxy)ethyl]-6-propyl-1,3,5-triazin-2-amine
PubChem CID103151157
Molecular FormulaC10H16F2N4O
Molecular Weight246.26 g/mol
Exact Mass246.13
IUPAC Name4-[2-(2,2-difluoroethoxy)ethyl]-6-propyl-1,3,5-triazin-2-amine
SMILESCCCc1nc(N)nc(CCOCC(F)F)n1
InChIInChI=1S/C10H16F2N4O/c1-2-3-8-14-9(16-10(13)15-8)4-5-17-6-7(11)12/h7H,2-6H2,1H3,(H2,13,14,15,16)
InChIKeyLPRPHYNKXCYVCC-UHFFFAOYSA-N
XLogP1.23
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 4-[2-(2,2-difluoroethoxy)ethyl]-6-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[2-(2,2-difluoroethoxy)ethyl]-6-propyl-1,3,5-triazin-2-amine (CID 103151157) is 4-[2-(2,2-difluoroethoxy)ethyl]-6-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[2-(2,2-difluoroethoxy)ethyl]-6-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[2-(2,2-difluoroethoxy)ethyl]-6-propyl-1,3,5-triazin-2-amine is CCCc1nc(N)nc(CCOCC(F)F)n1.
What is the InChIKey of 4-[2-(2,2-difluoroethoxy)ethyl]-6-propyl-1,3,5-triazin-2-amine?
The InChIKey is LPRPHYNKXCYVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N4O/c1-2-3-8-14-9(16-10(13)15-8)4-5-17-6-7(11)12/h7H,2-6H2,1H3,(H2,13,14,15,16).
What are the key properties of 4-[2-(2,2-difluoroethoxy)ethyl]-6-propyl-1,3,5-triazin-2-amine?
4-[2-(2,2-difluoroethoxy)ethyl]-6-propyl-1,3,5-triazin-2-amine has a molecular weight of 246.26 g/mol, XLogP of 1.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,2-difluoroethoxy)ethyl]-6-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 103151157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).