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

C7H9ClF2N4O — CID 103213750

IUPAC4-chloro-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(CCOCC(F)F)n1
InChIInChI=1S/C7H9ClF2N4O/c8-6-12-5(13-7(11)14-6)1-2-15-3-4(9)10/h4H,1-3H2,(H2,11,12,13,14)
InChIKeyNAVZVCJONWBYNC-UHFFFAOYSA-N
MW238.62 g/mol
LogP0.93
Rot. Bonds5

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

4-chloro-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine (PubChem CID 103213750) has the molecular formula C7H9ClF2N4O and a molecular weight of 238.62 g/mol. Its IUPAC name is 4-chloro-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine
PubChem CID103213750
Molecular FormulaC7H9ClF2N4O
Molecular Weight238.62 g/mol
Exact Mass238.04
IUPAC Name4-chloro-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(CCOCC(F)F)n1
InChIInChI=1S/C7H9ClF2N4O/c8-6-12-5(13-7(11)14-6)1-2-15-3-4(9)10/h4H,1-3H2,(H2,11,12,13,14)
InChIKeyNAVZVCJONWBYNC-UHFFFAOYSA-N
XLogP0.93
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.62
LogP ≤ 50.93
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-chloro-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine (CID 103213750) is 4-chloro-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine is Nc1nc(Cl)nc(CCOCC(F)F)n1.
What is the InChIKey of 4-chloro-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
The InChIKey is NAVZVCJONWBYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClF2N4O/c8-6-12-5(13-7(11)14-6)1-2-15-3-4(9)10/h4H,1-3H2,(H2,11,12,13,14).
What are the key properties of 4-chloro-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
4-chloro-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine has a molecular weight of 238.62 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 103213750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).