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

C14H8F18N4 — CID 635903

IUPAC4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(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/C14H8F18N4/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/h2-3H2,1H3,(H,33,34,35,36)
InChIKeyFJGBWCGALYBUDN-UHFFFAOYSA-N
MW574.21 g/mol
LogP6.54
Rot. Bonds5

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

4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-N-propyl-1,3,5-triazin-2-amine (PubChem CID 635903) has the molecular formula C14H8F18N4 and a molecular weight of 574.21 g/mol. Its IUPAC name is 4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-N-propyl-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-propyl-1,3,5-triazin-2-amine
PubChem CID635903
Molecular FormulaC14H8F18N4
Molecular Weight574.21 g/mol
Exact Mass574.05
IUPAC Name4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(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/C14H8F18N4/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/h2-3H2,1H3,(H,33,34,35,36)
InChIKeyFJGBWCGALYBUDN-UHFFFAOYSA-N
XLogP6.54
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.21
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-N-propyl-1,3,5-triazin-2-amine with MolForge

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Related Compounds

1,3,5-Triazine-2,4-diamine, N,N'-diethyl-6-(trifluoromethyl)-
CID 12871
s-Triazine, 2-dimethylamino-4-isopropylamino-6-(trifluoromethyl)-
CID 3041954
s-Triazine, 2-isopropylamino-4-methylamino-6-trifluoromethyl-
CID 3041963
N~2~-(Butan-2-yl)-6-(trifluoromethyl)-1,3,5-triazine-2,4(1H,3H)-diimine
CID 3041965
1,3,5-Triazin-2-amine, N-ethyl-4-methyl-6-(trifluoromethyl)-
CID 3041968
s-Triazine, 2-amino-4-isopropylamino-6-trifluoromethyl-
CID 3041987
2-Difluoromethyl-4-amino-6-ethylamino-s-triazine
CID 129787532
4-ethylamino-6-isopropyl amino S-triazine
CID 130532627
2-(Dipropylamino)-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 536260
4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-N,N-dipropyl-1,3,5-triazin-2-amine
CID 541429
2,4-Bis[perfluoromethyl]-6-[[(3-dimethylamino)propyl]amino]-1,2,3-triazine
CID 547272
2-[[3-(Dimethylamino)propyl]amino]-4,6-bis[chlorodifluoromethyl]-1,3,5-triazine
CID 547273

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-propyl-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-propyl-1,3,5-triazin-2-amine (CID 635903) is 4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-N-propyl-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-propyl-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-propyl-1,3,5-triazin-2-amine is CCCNc1nc(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-propyl-1,3,5-triazin-2-amine?
The InChIKey is FJGBWCGALYBUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F18N4/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/h2-3H2,1H3,(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-propyl-1,3,5-triazin-2-amine?
4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 574.21 g/mol, XLogP of 6.54, 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-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 635903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).