2,4-diethyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine

C10H13F4N3O — CID 175232803

IUPAC2,4-diethyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine
SMILESCCc1nc(CC)nc(OCC(F)(F)C(F)F)n1
InChIInChI=1S/C10H13F4N3O/c1-3-6-15-7(4-2)17-9(16-6)18-5-10(13,14)8(11)12/h8H,3-5H2,1-2H3
InChIKeyQXHGJWOXVITQER-UHFFFAOYSA-N
MW267.23 g/mol
LogP2.28
Rot. Bonds6

About 2,4-diethyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine

2,4-diethyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine (PubChem CID 175232803) has the molecular formula C10H13F4N3O and a molecular weight of 267.23 g/mol. Its IUPAC name is 2,4-diethyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diethyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine
PubChem CID175232803
Molecular FormulaC10H13F4N3O
Molecular Weight267.23 g/mol
Exact Mass267.10
IUPAC Name2,4-diethyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine
SMILESCCc1nc(CC)nc(OCC(F)(F)C(F)F)n1
InChIInChI=1S/C10H13F4N3O/c1-3-6-15-7(4-2)17-9(16-6)18-5-10(13,14)8(11)12/h8H,3-5H2,1-2H3
InChIKeyQXHGJWOXVITQER-UHFFFAOYSA-N
XLogP2.28
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.23
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2,4-diethyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine?
The IUPAC name of 2,4-diethyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine (CID 175232803) is 2,4-diethyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine.
What is the SMILES notation for 2,4-diethyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine?
The canonical SMILES for 2,4-diethyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine is CCc1nc(CC)nc(OCC(F)(F)C(F)F)n1.
What is the InChIKey of 2,4-diethyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine?
The InChIKey is QXHGJWOXVITQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F4N3O/c1-3-6-15-7(4-2)17-9(16-6)18-5-10(13,14)8(11)12/h8H,3-5H2,1-2H3.
What are the key properties of 2,4-diethyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine?
2,4-diethyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine has a molecular weight of 267.23 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine is sourced from PubChem (CID 175232803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).