2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4,6-di(propan-2-yloxy)-1,3,5-triazine

C12H14F7N3O2 — CID 15522409

IUPAC2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4,6-di(propan-2-yloxy)-1,3,5-triazine
SMILESCC(C)Oc1nc(OC(C)C)nc(C(F)(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C12H14F7N3O2/c1-5(2)23-8-20-7(21-9(22-8)24-6(3)4)10(13,11(14,15)16)12(17,18)19/h5-6H,1-4H3
InChIKeyZFEQDUGCVILCKS-UHFFFAOYSA-N
MW365.25 g/mol
LogP3.74
Rot. Bonds5

About 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4,6-di(propan-2-yloxy)-1,3,5-triazine

2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4,6-di(propan-2-yloxy)-1,3,5-triazine (PubChem CID 15522409) has the molecular formula C12H14F7N3O2 and a molecular weight of 365.25 g/mol. Its IUPAC name is 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4,6-di(propan-2-yloxy)-1,3,5-triazine.

Molecular Properties

Compound Name2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4,6-di(propan-2-yloxy)-1,3,5-triazine
PubChem CID15522409
Molecular FormulaC12H14F7N3O2
Molecular Weight365.25 g/mol
Exact Mass365.10
IUPAC Name2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4,6-di(propan-2-yloxy)-1,3,5-triazine
SMILESCC(C)Oc1nc(OC(C)C)nc(C(F)(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C12H14F7N3O2/c1-5(2)23-8-20-7(21-9(22-8)24-6(3)4)10(13,11(14,15)16)12(17,18)19/h5-6H,1-4H3
InChIKeyZFEQDUGCVILCKS-UHFFFAOYSA-N
XLogP3.74
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4,6-di(propan-2-yloxy)-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-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
N,N-diethyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-propan-2-yl-1,3,5-triazin-2-amine
CID 146554118
2-(1,1,2,3,3,3-Hexafluoropropyl)-4,6-dimethoxy-1,3,5-triazine
CID 163821200
2-(Oxiran-2-ylmethoxy)-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine
CID 170375426
Azane;2,4-diethyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine
CID 175232802
2-Cyclohexyloxy-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine
CID 15522406
2,4-Bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-propan-2-yloxy-1,3,5-triazine
CID 15522408
1-[4,6-Bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-yl]-2-methylpropan-2-amine
CID 21157433
2-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-4,6-dimethoxy-1,3,5-triazine
CID 101034458
2-Cyclohexyloxy-4-fluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine
CID 101034462

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4,6-di(propan-2-yloxy)-1,3,5-triazine?
The IUPAC name of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4,6-di(propan-2-yloxy)-1,3,5-triazine (CID 15522409) is 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4,6-di(propan-2-yloxy)-1,3,5-triazine.
What is the SMILES notation for 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4,6-di(propan-2-yloxy)-1,3,5-triazine?
The canonical SMILES for 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4,6-di(propan-2-yloxy)-1,3,5-triazine is CC(C)Oc1nc(OC(C)C)nc(C(F)(C(F)(F)F)C(F)(F)F)n1.
What is the InChIKey of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4,6-di(propan-2-yloxy)-1,3,5-triazine?
The InChIKey is ZFEQDUGCVILCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F7N3O2/c1-5(2)23-8-20-7(21-9(22-8)24-6(3)4)10(13,11(14,15)16)12(17,18)19/h5-6H,1-4H3.
What are the key properties of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4,6-di(propan-2-yloxy)-1,3,5-triazine?
2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4,6-di(propan-2-yloxy)-1,3,5-triazine has a molecular weight of 365.25 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4,6-di(propan-2-yloxy)-1,3,5-triazine is sourced from PubChem (CID 15522409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).