4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-N-prop-2-enyl-1,3,5-triazin-2-amine

C14H6F18N4 — CID 550109

IUPAC4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-N-prop-2-enyl-1,3,5-triazin-2-amine
SMILESC=CCNc1nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C14H6F18N4/c1-2-3-33-6-35-4(7(9(15,16)17,10(18,19)20)11(21,22)23)34-5(36-6)8(12(24,25)26,13(27,28)29)14(30,31)32/h2H,1,3H2,(H,33,34,35,36)
InChIKeyFMPHLOPGPAJPJV-UHFFFAOYSA-N
MW572.19 g/mol
LogP6.32
Rot. Bonds5

About 4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-N-prop-2-enyl-1,3,5-triazin-2-amine

4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-N-prop-2-enyl-1,3,5-triazin-2-amine (PubChem CID 550109) has the molecular formula C14H6F18N4 and a molecular weight of 572.19 g/mol. Its IUPAC name is 4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-N-prop-2-enyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-N-prop-2-enyl-1,3,5-triazin-2-amine
PubChem CID550109
Molecular FormulaC14H6F18N4
Molecular Weight572.19 g/mol
Exact Mass572.03
IUPAC Name4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-N-prop-2-enyl-1,3,5-triazin-2-amine
SMILESC=CCNc1nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C14H6F18N4/c1-2-3-33-6-35-4(7(9(15,16)17,10(18,19)20)11(21,22)23)34-5(36-6)8(12(24,25)26,13(27,28)29)14(30,31)32/h2H,1,3H2,(H,33,34,35,36)
InChIKeyFMPHLOPGPAJPJV-UHFFFAOYSA-N
XLogP6.32
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.19
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(Ethylamino)-4,6-bis[2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]-1,3,5-triazine
CID 549911
2-(Propylamino)-4,6-bis[2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]-1,3,5-triazine
CID 635903
2-(Allylamino)-4-[2,2,3,3,3-pentafluoro-1,1-bis(trifluoromethyl)propyl]-6-[2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]-1,3,5-triazine
CID 636155
N-prop-2-enyl-4-(trifluoromethoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 19006219
4-[chloro(difluoro)methoxy]-N-prop-2-enyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 19006227
6-(difluoromethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 130008702
6-[2-(Prop-2-enylamino)ethyl]-1,3,5-triazine-2,4-diamine
CID 56633535

Frequently Asked Questions

What is the IUPAC name of 4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-N-prop-2-enyl-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-N-prop-2-enyl-1,3,5-triazin-2-amine (CID 550109) is 4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-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-hexafluoro-2-(trifluoromethyl)propan-2-yl]-N-prop-2-enyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-N-prop-2-enyl-1,3,5-triazin-2-amine is C=CCNc1nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)n1.
What is the InChIKey of 4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-N-prop-2-enyl-1,3,5-triazin-2-amine?
The InChIKey is FMPHLOPGPAJPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6F18N4/c1-2-3-33-6-35-4(7(9(15,16)17,10(18,19)20)11(21,22)23)34-5(36-6)8(12(24,25)26,13(27,28)29)14(30,31)32/h2H,1,3H2,(H,33,34,35,36).
What are the key properties of 4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-N-prop-2-enyl-1,3,5-triazin-2-amine?
4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-N-prop-2-enyl-1,3,5-triazin-2-amine has a molecular weight of 572.19 g/mol, XLogP of 6.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-N-prop-2-enyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 550109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).