6-(3,3,4,4,4-pentafluorobutyl)-1,3,5-triazine-2,4-diamine

C7H8F5N5 — CID 14512643

IUPAC6-(3,3,4,4,4-pentafluorobutyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(CCC(F)(F)C(F)(F)F)n1
InChIInChI=1S/C7H8F5N5/c8-6(9,7(10,11)12)2-1-3-15-4(13)17-5(14)16-3/h1-2H2,(H4,13,14,15,16,17)
InChIKeyFGUSICOBMNPVIG-UHFFFAOYSA-N
MW257.17 g/mol
LogP1.17
Rot. Bonds3

About 6-(3,3,4,4,4-pentafluorobutyl)-1,3,5-triazine-2,4-diamine

6-(3,3,4,4,4-pentafluorobutyl)-1,3,5-triazine-2,4-diamine (PubChem CID 14512643) has the molecular formula C7H8F5N5 and a molecular weight of 257.17 g/mol. Its IUPAC name is 6-(3,3,4,4,4-pentafluorobutyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(3,3,4,4,4-pentafluorobutyl)-1,3,5-triazine-2,4-diamine
PubChem CID14512643
Molecular FormulaC7H8F5N5
Molecular Weight257.17 g/mol
Exact Mass257.07
IUPAC Name6-(3,3,4,4,4-pentafluorobutyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(CCC(F)(F)C(F)(F)F)n1
InChIInChI=1S/C7H8F5N5/c8-6(9,7(10,11)12)2-1-3-15-4(13)17-5(14)16-3/h1-2H2,(H4,13,14,15,16,17)
InChIKeyFGUSICOBMNPVIG-UHFFFAOYSA-N
XLogP1.17
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-Propyl-1,3,5-triazine-2,4-diamine
CID 22252
6-Pentyl-1,3,5-triazine-2,4-diamine
CID 18673
1,3,5-Triazine-2,4-diamine, 6-butyl-
CID 18602
6-(1-Fluoroethyl)-1,3,5-triazine-2,4-diamine
CID 101880615
6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 178327053
6-(Difluoromethyl)-1,3,5-triazine-2,4-diamine
CID 44725305
4-Chloro-6-(1-fluoropropyl)-1,3,5-triazin-2-amine
CID 12040789
6-(2,2,2-Trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 14512633
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-(3,3,4,4,5,5,6,6,6-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

Frequently Asked Questions

What is the IUPAC name of 6-(3,3,4,4,4-pentafluorobutyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(3,3,4,4,4-pentafluorobutyl)-1,3,5-triazine-2,4-diamine (CID 14512643) is 6-(3,3,4,4,4-pentafluorobutyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(3,3,4,4,4-pentafluorobutyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(3,3,4,4,4-pentafluorobutyl)-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(CCC(F)(F)C(F)(F)F)n1.
What is the InChIKey of 6-(3,3,4,4,4-pentafluorobutyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is FGUSICOBMNPVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F5N5/c8-6(9,7(10,11)12)2-1-3-15-4(13)17-5(14)16-3/h1-2H2,(H4,13,14,15,16,17).
What are the key properties of 6-(3,3,4,4,4-pentafluorobutyl)-1,3,5-triazine-2,4-diamine?
6-(3,3,4,4,4-pentafluorobutyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 257.17 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3,4,4,4-pentafluorobutyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 14512643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).