4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-prop-2-enyl-1,3,5-triazin-2-amine

C12H8F12N4O2 — CID 549774

IUPAC4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-prop-2-enyl-1,3,5-triazin-2-amine
SMILESC=CCNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C12H8F12N4O2/c1-2-3-25-6-26-7(29-4(9(13,14)15)10(16,17)18)28-8(27-6)30-5(11(19,20)21)12(22,23)24/h2,4-5H,1,3H2,(H,25,26,27,28)
InChIKeyZKOHCNYCNWCQJU-UHFFFAOYSA-N
MW468.20 g/mol
LogP4.21
Rot. Bonds7

About 4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-prop-2-enyl-1,3,5-triazin-2-amine

4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-prop-2-enyl-1,3,5-triazin-2-amine (PubChem CID 549774) has the molecular formula C12H8F12N4O2 and a molecular weight of 468.20 g/mol. Its IUPAC name is 4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-prop-2-enyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-prop-2-enyl-1,3,5-triazin-2-amine
PubChem CID549774
Molecular FormulaC12H8F12N4O2
Molecular Weight468.20 g/mol
Exact Mass468.05
IUPAC Name4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-prop-2-enyl-1,3,5-triazin-2-amine
SMILESC=CCNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C12H8F12N4O2/c1-2-3-25-6-26-7(29-4(9(13,14)15)10(16,17)18)28-8(27-6)30-5(11(19,20)21)12(22,23)24/h2,4-5H,1,3H2,(H,25,26,27,28)
InChIKeyZKOHCNYCNWCQJU-UHFFFAOYSA-N
XLogP4.21
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.20
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-prop-2-enyl-1,3,5-triazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

1,3,5-Triazine, 4,6-bis(2,2,2-trifluoro-1-trifluoromethylethoxy)-2-propylamino-
CID 550627
N-Ethyl-4,6-bis[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1,3,5-triazin-2-amine
CID 549848
4-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-6-(morpholin-4-yl)-N-(prop-2-en-1-yl)-1,3,5-triazin-2-amine
CID 2827457
4-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-6-(piperidin-1-yl)-N-(prop-2-en-1-yl)-1,3,5-triazin-2-amine
CID 2827458
1,3,5-Triazine, 4,6-bis(2,2,2-trifluoro-1-trifluoromethylethoxy)-2-isopropylamino-
CID 635146
N-prop-2-enyl-4,6-bis(trifluoromethoxy)-1,3,5-triazin-2-amine
CID 19006212
4-fluoro-N-prop-2-enyl-6-(trifluoromethoxy)-1,3,5-triazin-2-amine
CID 19006230
4,6-bis[chloro(difluoro)methoxy]-N-prop-2-enyl-1,3,5-triazin-2-amine
CID 57283139
2-N-[(2Z,4Z)-hepta-2,4,6-trienyl]-4-N-methyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine
CID 167134869
6-(fluoromethoxy)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 176847625
N-butyl-4,6-bis[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-1,3,5-triazin-2-amine
CID 2827027
6-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-N-methyl-N'-propyl-1,3,5-triazine-2,4-diamine
CID 3485812

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-prop-2-enyl-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-prop-2-enyl-1,3,5-triazin-2-amine (CID 549774) is 4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-prop-2-enyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-prop-2-enyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-prop-2-enyl-1,3,5-triazin-2-amine is C=CCNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n1.
What is the InChIKey of 4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-prop-2-enyl-1,3,5-triazin-2-amine?
The InChIKey is ZKOHCNYCNWCQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F12N4O2/c1-2-3-25-6-26-7(29-4(9(13,14)15)10(16,17)18)28-8(27-6)30-5(11(19,20)21)12(22,23)24/h2,4-5H,1,3H2,(H,25,26,27,28).
What are the key properties of 4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-prop-2-enyl-1,3,5-triazin-2-amine?
4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-prop-2-enyl-1,3,5-triazin-2-amine has a molecular weight of 468.20 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-prop-2-enyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 549774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).