6-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]-1,3,5-triazine-2,4-diamine

C8H8F7N5 — CID 14512663

IUPAC6-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(CCC(F)(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C8H8F7N5/c9-6(7(10,11)12,8(13,14)15)2-1-3-18-4(16)20-5(17)19-3/h1-2H2,(H4,16,17,18,19,20)
InChIKeyCNBBTBCGIWDWFT-UHFFFAOYSA-N
MW307.17 g/mol
LogP1.80
Rot. Bonds3

About 6-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]-1,3,5-triazine-2,4-diamine

6-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]-1,3,5-triazine-2,4-diamine (PubChem CID 14512663) has the molecular formula C8H8F7N5 and a molecular weight of 307.17 g/mol. Its IUPAC name is 6-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]-1,3,5-triazine-2,4-diamine
PubChem CID14512663
Molecular FormulaC8H8F7N5
Molecular Weight307.17 g/mol
Exact Mass307.07
IUPAC Name6-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(CCC(F)(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C8H8F7N5/c9-6(7(10,11)12,8(13,14)15)2-1-3-18-4(16)20-5(17)19-3/h1-2H2,(H4,16,17,18,19,20)
InChIKeyCNBBTBCGIWDWFT-UHFFFAOYSA-N
XLogP1.80
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.17
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2,2,3,3,3-Pentafluoropropyl)-1,3,5-triazine-2,4-diamine
CID 14512634
6-(3,3,3-Trifluoropropyl)-1,3,5-triazine-2,4-diamine
CID 14512642
6-(3,3,4,4,4-Pentafluorobutyl)-1,3,5-triazine-2,4-diamine
CID 14512643
6-(3,3,4,4,5,5,6,6,6-Nonafluorohexyl)-1,3,5-triazine-2,4-diamine
CID 14512644
6-(3,3,4,4,5,5,5-Heptafluoropentyl)-1,3,5-triazine-2,4-diamine
CID 14512646
6-(4,4,5,5,6,6,7,7,7-Nonafluoroheptyl)-1,3,5-triazine-2,4-diamine
CID 14512656
6-(4,4,5,5,5-Pentafluoropentyl)-1,3,5-triazine-2,4-diamine
CID 14512658
6-(4,4-Difluorocyclohexyl)-1,3,5-triazine-2,4-diamine
CID 112681579
6-(3,3-Difluorocyclobutyl)-1,3,5-triazine-2,4-diamine
CID 127004945
6-(2,2-Difluoropropyl)-1,3,5-triazine-2,4-diamine
CID 130889701
6-(1-Fluorocyclopentyl)-1,3,5-triazine-2,4-diamine
CID 135367721
6-(6,6,7,7,8,8,9,9,9-Nonafluorononyl)-1,3,5-triazine-2,4-diamine
CID 139685062

Frequently Asked Questions

What is the IUPAC name of 6-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]-1,3,5-triazine-2,4-diamine (CID 14512663) is 6-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(CCC(F)(C(F)(F)F)C(F)(F)F)n1.
What is the InChIKey of 6-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is CNBBTBCGIWDWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F7N5/c9-6(7(10,11)12,8(13,14)15)2-1-3-18-4(16)20-5(17)19-3/h1-2H2,(H4,16,17,18,19,20).
What are the key properties of 6-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]-1,3,5-triazine-2,4-diamine?
6-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 307.17 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 14512663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).