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

C11H17F4N5O — CID 80843053

IUPAC2-N,2-N-diethyl-4-N-methyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(NC)nc(OCC(F)(F)C(F)F)n1
InChIInChI=1S/C11H17F4N5O/c1-4-20(5-2)9-17-8(16-3)18-10(19-9)21-6-11(14,15)7(12)13/h7H,4-6H2,1-3H3,(H,16,17,18,19)
InChIKeyDSAZNHCMPWVOEN-UHFFFAOYSA-N
MW311.28 g/mol
LogP2.04
Rot. Bonds8

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

2-N,2-N-diethyl-4-N-methyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine (PubChem CID 80843053) has the molecular formula C11H17F4N5O and a molecular weight of 311.28 g/mol. Its IUPAC name is 2-N,2-N-diethyl-4-N-methyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-4-N-methyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine
PubChem CID80843053
Molecular FormulaC11H17F4N5O
Molecular Weight311.28 g/mol
Exact Mass311.14
IUPAC Name2-N,2-N-diethyl-4-N-methyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(NC)nc(OCC(F)(F)C(F)F)n1
InChIInChI=1S/C11H17F4N5O/c1-4-20(5-2)9-17-8(16-3)18-10(19-9)21-6-11(14,15)7(12)13/h7H,4-6H2,1-3H3,(H,16,17,18,19)
InChIKeyDSAZNHCMPWVOEN-UHFFFAOYSA-N
XLogP2.04
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,3,5-Triazine, 4,6-bis(2,2,2-trifluoro-1-trifluoromethylethoxy)-2-propylamino-
CID 550627
N-propyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 2267441
[4,6-Bis-(2,2,2-trifluoro-1-trifluoromethyl-ethoxy)-[1,3,5]triazin-2-yl]-sec-butyl-amine
CID 3094334
N-(sec-butyl)-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 3241353
2-Ethylamino-4-piperidin-1-yl-6-(2,2,2-trifluoro-2-trifluoromethylethoxy)-[1,3,5]-triazine
CID 633000
N-tert-butyl-N'-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 879069
N-methyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 1375553
N~2~-(sec-butyl)-N~4~,N~4~-diethyl-6-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1,3,5-triazine-2,4-diamine
CID 3094636
N-Ethyl-4,6-bis[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1,3,5-triazin-2-amine
CID 549848
2-Butoxy-4,6-bis(ethylamino)-S-triazine
CID 35115
4-(1-Piperazinyl)-N-propyl-6-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1,3,5-triazin-2-amine
CID 3953767
N-methyl-4-(piperidin-1-yl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 5138987

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-4-N-methyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-diethyl-4-N-methyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine (CID 80843053) is 2-N,2-N-diethyl-4-N-methyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-4-N-methyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-diethyl-4-N-methyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(NC)nc(OCC(F)(F)C(F)F)n1.
What is the InChIKey of 2-N,2-N-diethyl-4-N-methyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine?
The InChIKey is DSAZNHCMPWVOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F4N5O/c1-4-20(5-2)9-17-8(16-3)18-10(19-9)21-6-11(14,15)7(12)13/h7H,4-6H2,1-3H3,(H,16,17,18,19).
What are the key properties of 2-N,2-N-diethyl-4-N-methyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine?
2-N,2-N-diethyl-4-N-methyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine has a molecular weight of 311.28 g/mol, XLogP of 2.04, 8 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-4-N-methyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80843053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).