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

C6H4F7N5 — CID 24975039

IUPAC6-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(C(F)(F)C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C6H4F7N5/c7-4(8,5(9,10)6(11,12)13)1-16-2(14)18-3(15)17-1/h(H4,14,15,16,17,18)
InChIKeyDDDUQWIMISTGBL-UHFFFAOYSA-N
MW279.12 g/mol
LogP1.33
Rot. Bonds2

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

6-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazine-2,4-diamine (PubChem CID 24975039) has the molecular formula C6H4F7N5 and a molecular weight of 279.12 g/mol. Its IUPAC name is 6-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazine-2,4-diamine
PubChem CID24975039
Molecular FormulaC6H4F7N5
Molecular Weight279.12 g/mol
Exact Mass279.04
IUPAC Name6-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(C(F)(F)C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C6H4F7N5/c7-4(8,5(9,10)6(11,12)13)1-16-2(14)18-3(15)17-1/h(H4,14,15,16,17,18)
InChIKeyDDDUQWIMISTGBL-UHFFFAOYSA-N
XLogP1.33
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.12
LogP ≤ 51.33
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

4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-amine
CID 549779
CID 158808778
CID 158808778
1,3,5-triazine-2,4,6-triamine
CID 22011128
1,3,5-triazine-2,4,6-triamine
CID 67592325
1,3,5-triazine-2,4,6-triamine
CID 67883493
cerium;1,3,5-triazine-2,4,6-triamine
CID 161330303
2-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylpropanal
CID 165489957
CID 161237942
CID 161237942
azane;cobalt;1,3,5-triazine-2,4,6-triamine
CID 172711382
azane;molybdenum(4+);1,3,5-triazine-2,4,6-triamine
CID 172706405
2,4,6-tris(1,1,2,2,3,3,4,4,5,5-decafluoro-5-iodopentyl)-1,3,5-triazine
CID 10931235
4-chloro-6-(1,1-difluoroethyl)-1,3,5-triazin-2-amine
CID 119082838

Frequently Asked Questions

What is the IUPAC name of 6-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazine-2,4-diamine (CID 24975039) is 6-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(C(F)(F)C(F)(F)C(F)(F)F)n1.
What is the InChIKey of 6-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is DDDUQWIMISTGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F7N5/c7-4(8,5(9,10)6(11,12)13)1-16-2(14)18-3(15)17-1/h(H4,14,15,16,17,18).
What are the key properties of 6-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazine-2,4-diamine?
6-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 279.12 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 24975039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).