2-chloro-4-propan-2-yloxy-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine

C9H10ClF4N3O2 — CID 55124240

IUPAC2-chloro-4-propan-2-yloxy-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine
SMILESCC(C)Oc1nc(Cl)nc(OCC(F)(F)C(F)F)n1
InChIInChI=1S/C9H10ClF4N3O2/c1-4(2)19-8-16-6(10)15-7(17-8)18-3-9(13,14)5(11)12/h4-5H,3H2,1-2H3
InChIKeyYRFMEHDZOSFVLC-UHFFFAOYSA-N
MW303.64 g/mol
LogP2.59
Rot. Bonds6

About 2-chloro-4-propan-2-yloxy-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine

2-chloro-4-propan-2-yloxy-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine (PubChem CID 55124240) has the molecular formula C9H10ClF4N3O2 and a molecular weight of 303.64 g/mol. Its IUPAC name is 2-chloro-4-propan-2-yloxy-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-propan-2-yloxy-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine
PubChem CID55124240
Molecular FormulaC9H10ClF4N3O2
Molecular Weight303.64 g/mol
Exact Mass303.04
IUPAC Name2-chloro-4-propan-2-yloxy-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine
SMILESCC(C)Oc1nc(Cl)nc(OCC(F)(F)C(F)F)n1
InChIInChI=1S/C9H10ClF4N3O2/c1-4(2)19-8-16-6(10)15-7(17-8)18-3-9(13,14)5(11)12/h4-5H,3H2,1-2H3
InChIKeyYRFMEHDZOSFVLC-UHFFFAOYSA-N
XLogP2.59
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.64
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-propan-2-yloxy-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-propan-2-yloxy-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine (CID 55124240) is 2-chloro-4-propan-2-yloxy-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-propan-2-yloxy-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-propan-2-yloxy-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine is CC(C)Oc1nc(Cl)nc(OCC(F)(F)C(F)F)n1.
What is the InChIKey of 2-chloro-4-propan-2-yloxy-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine?
The InChIKey is YRFMEHDZOSFVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF4N3O2/c1-4(2)19-8-16-6(10)15-7(17-8)18-3-9(13,14)5(11)12/h4-5H,3H2,1-2H3.
What are the key properties of 2-chloro-4-propan-2-yloxy-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine?
2-chloro-4-propan-2-yloxy-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine has a molecular weight of 303.64 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-propan-2-yloxy-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine is sourced from PubChem (CID 55124240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).