2-(1,1,2,3,3,3-hexafluoropropyl)-4,6-dimethoxy-1,3,5-triazine

C8H7F6N3O2 — CID 163821200

IUPAC2-(1,1,2,3,3,3-hexafluoropropyl)-4,6-dimethoxy-1,3,5-triazine
SMILESCOc1nc(OC)nc(C(F)(F)C(F)C(F)(F)F)n1
InChIInChI=1S/C8H7F6N3O2/c1-18-5-15-4(16-6(17-5)19-2)7(10,11)3(9)8(12,13)14/h3H,1-2H3
InChIKeyNVNYBBDXCDAXCT-UHFFFAOYSA-N
MW291.15 g/mol
LogP1.88
Rot. Bonds4

About 2-(1,1,2,3,3,3-hexafluoropropyl)-4,6-dimethoxy-1,3,5-triazine

2-(1,1,2,3,3,3-hexafluoropropyl)-4,6-dimethoxy-1,3,5-triazine (PubChem CID 163821200) has the molecular formula C8H7F6N3O2 and a molecular weight of 291.15 g/mol. Its IUPAC name is 2-(1,1,2,3,3,3-hexafluoropropyl)-4,6-dimethoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-(1,1,2,3,3,3-hexafluoropropyl)-4,6-dimethoxy-1,3,5-triazine
PubChem CID163821200
Molecular FormulaC8H7F6N3O2
Molecular Weight291.15 g/mol
Exact Mass291.04
IUPAC Name2-(1,1,2,3,3,3-hexafluoropropyl)-4,6-dimethoxy-1,3,5-triazine
SMILESCOc1nc(OC)nc(C(F)(F)C(F)C(F)(F)F)n1
InChIInChI=1S/C8H7F6N3O2/c1-18-5-15-4(16-6(17-5)19-2)7(10,11)3(9)8(12,13)14/h3H,1-2H3
InChIKeyNVNYBBDXCDAXCT-UHFFFAOYSA-N
XLogP1.88
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-Bis(1,1,2,2,3,3,3-heptafluoropropyl)-6-methyl-1,3,5-triazine
CID 15877564
2-Methoxy-4,6-bis[2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]-1,3,5-triazine
CID 543046
2-Ethoxy-4-[2,2,3,3,3-pentafluoro-1,1-bis(trifluoromethyl)propyl]-6-[2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]-1,3,5-triazine
CID 549853
2-Methoxy-4-[2,2,3,3,3-pentafluoro-1,1-bis(trifluoromethyl)propyl]-6-[2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]-1,3,5-triazine
CID 549880
2-Ethoxy-4,6-bis[2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]-1,3,5-triazine
CID 550581
2-Methyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 143789986
2-Methyl-4,6-bis(trifluoromethoxy)-1,3,5-triazine
CID 177164302
2,4-Bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-propan-2-yloxy-1,3,5-triazine
CID 15522408
2-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-4,6-di(propan-2-yloxy)-1,3,5-triazine
CID 15522409
2-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-4,6-dimethoxy-1,3,5-triazine
CID 101034458
2,4-Bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methoxy-1,3,5-triazine
CID 101034461
2,4-Diethyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine
CID 175232803

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,3,3,3-hexafluoropropyl)-4,6-dimethoxy-1,3,5-triazine?
The IUPAC name of 2-(1,1,2,3,3,3-hexafluoropropyl)-4,6-dimethoxy-1,3,5-triazine (CID 163821200) is 2-(1,1,2,3,3,3-hexafluoropropyl)-4,6-dimethoxy-1,3,5-triazine.
What is the SMILES notation for 2-(1,1,2,3,3,3-hexafluoropropyl)-4,6-dimethoxy-1,3,5-triazine?
The canonical SMILES for 2-(1,1,2,3,3,3-hexafluoropropyl)-4,6-dimethoxy-1,3,5-triazine is COc1nc(OC)nc(C(F)(F)C(F)C(F)(F)F)n1.
What is the InChIKey of 2-(1,1,2,3,3,3-hexafluoropropyl)-4,6-dimethoxy-1,3,5-triazine?
The InChIKey is NVNYBBDXCDAXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F6N3O2/c1-18-5-15-4(16-6(17-5)19-2)7(10,11)3(9)8(12,13)14/h3H,1-2H3.
What are the key properties of 2-(1,1,2,3,3,3-hexafluoropropyl)-4,6-dimethoxy-1,3,5-triazine?
2-(1,1,2,3,3,3-hexafluoropropyl)-4,6-dimethoxy-1,3,5-triazine has a molecular weight of 291.15 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,3,3,3-hexafluoropropyl)-4,6-dimethoxy-1,3,5-triazine is sourced from PubChem (CID 163821200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).