4-chloro-N,N-diethyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine

C10H13ClF4N4O — CID 62870480

IUPAC4-chloro-N,N-diethyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(Cl)nc(OCC(F)(F)C(F)F)n1
InChIInChI=1S/C10H13ClF4N4O/c1-3-19(4-2)8-16-7(11)17-9(18-8)20-5-10(14,15)6(12)13/h6H,3-5H2,1-2H3
InChIKeyYPGJIOCUVIXAOH-UHFFFAOYSA-N
MW316.69 g/mol
LogP2.65
Rot. Bonds7

About 4-chloro-N,N-diethyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine

4-chloro-N,N-diethyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine (PubChem CID 62870480) has the molecular formula C10H13ClF4N4O and a molecular weight of 316.69 g/mol. Its IUPAC name is 4-chloro-N,N-diethyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N,N-diethyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine
PubChem CID62870480
Molecular FormulaC10H13ClF4N4O
Molecular Weight316.69 g/mol
Exact Mass316.07
IUPAC Name4-chloro-N,N-diethyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(Cl)nc(OCC(F)(F)C(F)F)n1
InChIInChI=1S/C10H13ClF4N4O/c1-3-19(4-2)8-16-7(11)17-9(18-8)20-5-10(14,15)6(12)13/h6H,3-5H2,1-2H3
InChIKeyYPGJIOCUVIXAOH-UHFFFAOYSA-N
XLogP2.65
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.69
LogP ≤ 52.65
H-Bond Donors ≤ 50
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-chloro-N,N-diethyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N,N-diethyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine (CID 62870480) is 4-chloro-N,N-diethyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N,N-diethyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N,N-diethyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine is CCN(CC)c1nc(Cl)nc(OCC(F)(F)C(F)F)n1.
What is the InChIKey of 4-chloro-N,N-diethyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine?
The InChIKey is YPGJIOCUVIXAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF4N4O/c1-3-19(4-2)8-16-7(11)17-9(18-8)20-5-10(14,15)6(12)13/h6H,3-5H2,1-2H3.
What are the key properties of 4-chloro-N,N-diethyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine?
4-chloro-N,N-diethyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine has a molecular weight of 316.69 g/mol, XLogP of 2.65, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-diethyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 62870480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).