2-chloro-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine

C9H2ClF12N3O2 — CID 87242007

IUPAC2-chloro-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine
SMILESFC(F)(F)C(Oc1nc(Cl)nc(OC(C(F)(F)F)C(F)(F)F)n1)C(F)(F)F
InChIInChI=1S/C9H2ClF12N3O2/c10-3-23-4(26-1(6(11,12)13)7(14,15)16)25-5(24-3)27-2(8(17,18)19)9(20,21)22/h1-2H
InChIKeyQAUNLUAKAORVAD-UHFFFAOYSA-N
MW447.56 g/mol
LogP4.27
Rot. Bonds4

About 2-chloro-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine

2-chloro-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine (PubChem CID 87242007) has the molecular formula C9H2ClF12N3O2 and a molecular weight of 447.56 g/mol. Its IUPAC name is 2-chloro-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine
PubChem CID87242007
Molecular FormulaC9H2ClF12N3O2
Molecular Weight447.56 g/mol
Exact Mass446.96
IUPAC Name2-chloro-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine
SMILESFC(F)(F)C(Oc1nc(Cl)nc(OC(C(F)(F)F)C(F)(F)F)n1)C(F)(F)F
InChIInChI=1S/C9H2ClF12N3O2/c10-3-23-4(26-1(6(11,12)13)7(14,15)16)25-5(24-3)27-2(8(17,18)19)9(20,21)22/h1-2H
InChIKeyQAUNLUAKAORVAD-UHFFFAOYSA-N
XLogP4.27
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-chloro-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine with MolForge

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Related Compounds

4,6-Bis[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1,3,5-triazin-2-amine
CID 550572
2,4,6-Tris(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 3091708
2-Chloro-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 53342808
2,4,6-Tris(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazine
CID 12586979
2-Chloro-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-1,3,5-triazine
CID 154244004
2,4,6-Tris[1-(trifluoromethyl)-2,2,2-trifluoroethoxy]-1,3,5-triazine
CID 2827226
2,4-Dichloro-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 58039636
2,4-Dichloro-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine
CID 62859410
2,4-Dichloro-6-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine
CID 87242004
2,4-Dichloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine
CID 87242005
2-Chloro-4,6-bis(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine
CID 87242006
2,4,6-Tris(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine
CID 87242027

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine?
The IUPAC name of 2-chloro-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine (CID 87242007) is 2-chloro-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine is FC(F)(F)C(Oc1nc(Cl)nc(OC(C(F)(F)F)C(F)(F)F)n1)C(F)(F)F.
What is the InChIKey of 2-chloro-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine?
The InChIKey is QAUNLUAKAORVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H2ClF12N3O2/c10-3-23-4(26-1(6(11,12)13)7(14,15)16)25-5(24-3)27-2(8(17,18)19)9(20,21)22/h1-2H.
What are the key properties of 2-chloro-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine?
2-chloro-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine has a molecular weight of 447.56 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine is sourced from PubChem (CID 87242007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).