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

C10H3F14N3 — CID 15877564

IUPAC2,4-bis(1,1,2,2,3,3,3-heptafluoropropyl)-6-methyl-1,3,5-triazine
SMILESCc1nc(C(F)(F)C(F)(F)C(F)(F)F)nc(C(F)(F)C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C10H3F14N3/c1-2-25-3(5(11,12)7(15,16)9(19,20)21)27-4(26-2)6(13,14)8(17,18)10(22,23)24/h1H3
InChIKeySTIYNAVNQMOGQG-UHFFFAOYSA-N
MW431.13 g/mol
LogP4.76
Rot. Bonds4

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

2,4-bis(1,1,2,2,3,3,3-heptafluoropropyl)-6-methyl-1,3,5-triazine (PubChem CID 15877564) has the molecular formula C10H3F14N3 and a molecular weight of 431.13 g/mol. Its IUPAC name is 2,4-bis(1,1,2,2,3,3,3-heptafluoropropyl)-6-methyl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(1,1,2,2,3,3,3-heptafluoropropyl)-6-methyl-1,3,5-triazine
PubChem CID15877564
Molecular FormulaC10H3F14N3
Molecular Weight431.13 g/mol
Exact Mass431.01
IUPAC Name2,4-bis(1,1,2,2,3,3,3-heptafluoropropyl)-6-methyl-1,3,5-triazine
SMILESCc1nc(C(F)(F)C(F)(F)C(F)(F)F)nc(C(F)(F)C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C10H3F14N3/c1-2-25-3(5(11,12)7(15,16)9(19,20)21)27-4(26-2)6(13,14)8(17,18)10(22,23)24/h1H3
InChIKeySTIYNAVNQMOGQG-UHFFFAOYSA-N
XLogP4.76
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.13
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(1,1,2,2,3,3,3-heptafluoropropyl)-6-methyl-1,3,5-triazine?
The IUPAC name of 2,4-bis(1,1,2,2,3,3,3-heptafluoropropyl)-6-methyl-1,3,5-triazine (CID 15877564) is 2,4-bis(1,1,2,2,3,3,3-heptafluoropropyl)-6-methyl-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(1,1,2,2,3,3,3-heptafluoropropyl)-6-methyl-1,3,5-triazine?
The canonical SMILES for 2,4-bis(1,1,2,2,3,3,3-heptafluoropropyl)-6-methyl-1,3,5-triazine is Cc1nc(C(F)(F)C(F)(F)C(F)(F)F)nc(C(F)(F)C(F)(F)C(F)(F)F)n1.
What is the InChIKey of 2,4-bis(1,1,2,2,3,3,3-heptafluoropropyl)-6-methyl-1,3,5-triazine?
The InChIKey is STIYNAVNQMOGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3F14N3/c1-2-25-3(5(11,12)7(15,16)9(19,20)21)27-4(26-2)6(13,14)8(17,18)10(22,23)24/h1H3.
What are the key properties of 2,4-bis(1,1,2,2,3,3,3-heptafluoropropyl)-6-methyl-1,3,5-triazine?
2,4-bis(1,1,2,2,3,3,3-heptafluoropropyl)-6-methyl-1,3,5-triazine has a molecular weight of 431.13 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(1,1,2,2,3,3,3-heptafluoropropyl)-6-methyl-1,3,5-triazine is sourced from PubChem (CID 15877564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).