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

C9ClF14N3O2 — CID 154244004

IUPAC2-chloro-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-1,3,5-triazine
SMILESFC(F)(F)C(F)(Oc1nc(Cl)nc(OC(F)(C(F)(F)F)C(F)(F)F)n1)C(F)(F)F
InChIInChI=1S/C9ClF14N3O2/c10-1-25-2(28-4(11,6(13,14)15)7(16,17)18)27-3(26-1)29-5(12,8(19,20)21)9(22,23)24
InChIKeyFWEJQTYLTAYBMQ-UHFFFAOYSA-N
MW483.54 g/mol
LogP4.86
Rot. Bonds4

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

2-chloro-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-1,3,5-triazine (PubChem CID 154244004) has the molecular formula C9ClF14N3O2 and a molecular weight of 483.54 g/mol. Its IUPAC name is 2-chloro-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-1,3,5-triazine
PubChem CID154244004
Molecular FormulaC9ClF14N3O2
Molecular Weight483.54 g/mol
Exact Mass482.95
IUPAC Name2-chloro-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-1,3,5-triazine
SMILESFC(F)(F)C(F)(Oc1nc(Cl)nc(OC(F)(C(F)(F)F)C(F)(F)F)n1)C(F)(F)F
InChIInChI=1S/C9ClF14N3O2/c10-1-25-2(28-4(11,6(13,14)15)7(16,17)18)27-3(26-1)29-5(12,8(19,20)21)9(22,23)24
InChIKeyFWEJQTYLTAYBMQ-UHFFFAOYSA-N
XLogP4.86
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.54
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-1,3,5-triazine?
The IUPAC name of 2-chloro-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-1,3,5-triazine (CID 154244004) is 2-chloro-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-1,3,5-triazine is FC(F)(F)C(F)(Oc1nc(Cl)nc(OC(F)(C(F)(F)F)C(F)(F)F)n1)C(F)(F)F.
What is the InChIKey of 2-chloro-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-1,3,5-triazine?
The InChIKey is FWEJQTYLTAYBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9ClF14N3O2/c10-1-25-2(28-4(11,6(13,14)15)7(16,17)18)27-3(26-1)29-5(12,8(19,20)21)9(22,23)24.
What are the key properties of 2-chloro-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-1,3,5-triazine?
2-chloro-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-1,3,5-triazine has a molecular weight of 483.54 g/mol, XLogP of 4.86, 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(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-1,3,5-triazine is sourced from PubChem (CID 154244004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).