2,4-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methoxy-1,3,5-triazine

C10H3F14N3O — CID 101034461

IUPAC2,4-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methoxy-1,3,5-triazine
SMILESCOc1nc(C(F)(C(F)(F)F)C(F)(F)F)nc(C(F)(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C10H3F14N3O/c1-28-4-26-2(5(11,7(13,14)15)8(16,17)18)25-3(27-4)6(12,9(19,20)21)10(22,23)24/h1H3
InChIKeyXCLNAYQHJYTDCX-UHFFFAOYSA-N
MW447.13 g/mol
LogP4.46
Rot. Bonds3

About 2,4-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methoxy-1,3,5-triazine

2,4-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methoxy-1,3,5-triazine (PubChem CID 101034461) has the molecular formula C10H3F14N3O and a molecular weight of 447.13 g/mol. Its IUPAC name is 2,4-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methoxy-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methoxy-1,3,5-triazine
PubChem CID101034461
Molecular FormulaC10H3F14N3O
Molecular Weight447.13 g/mol
Exact Mass447.01
IUPAC Name2,4-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methoxy-1,3,5-triazine
SMILESCOc1nc(C(F)(C(F)(F)F)C(F)(F)F)nc(C(F)(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C10H3F14N3O/c1-28-4-26-2(5(11,7(13,14)15)8(16,17)18)25-3(27-4)6(12,9(19,20)21)10(22,23)24/h1H3
InChIKeyXCLNAYQHJYTDCX-UHFFFAOYSA-N
XLogP4.46
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.13
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methoxy-1,3,5-triazine?
The IUPAC name of 2,4-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methoxy-1,3,5-triazine (CID 101034461) is 2,4-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methoxy-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methoxy-1,3,5-triazine?
The canonical SMILES for 2,4-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methoxy-1,3,5-triazine is COc1nc(C(F)(C(F)(F)F)C(F)(F)F)nc(C(F)(C(F)(F)F)C(F)(F)F)n1.
What is the InChIKey of 2,4-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methoxy-1,3,5-triazine?
The InChIKey is XCLNAYQHJYTDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3F14N3O/c1-28-4-26-2(5(11,7(13,14)15)8(16,17)18)25-3(27-4)6(12,9(19,20)21)10(22,23)24/h1H3.
What are the key properties of 2,4-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methoxy-1,3,5-triazine?
2,4-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methoxy-1,3,5-triazine has a molecular weight of 447.13 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methoxy-1,3,5-triazine is sourced from PubChem (CID 101034461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).