2-(2,2,3,3-tetrafluorobutoxy)-1,3,5-triazine

C7H7F4N3O — CID 118039406

IUPAC2-(2,2,3,3-tetrafluorobutoxy)-1,3,5-triazine
SMILESCC(F)(F)C(F)(F)COc1ncncn1
InChIInChI=1S/C7H7F4N3O/c1-6(8,9)7(10,11)2-15-5-13-3-12-4-14-5/h3-4H,2H2,1H3
InChIKeyIPBLRLCBCRVHFR-UHFFFAOYSA-N
MW225.14 g/mol
LogP1.54
Rot. Bonds4

About 2-(2,2,3,3-tetrafluorobutoxy)-1,3,5-triazine

2-(2,2,3,3-tetrafluorobutoxy)-1,3,5-triazine (PubChem CID 118039406) has the molecular formula C7H7F4N3O and a molecular weight of 225.14 g/mol. Its IUPAC name is 2-(2,2,3,3-tetrafluorobutoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2-(2,2,3,3-tetrafluorobutoxy)-1,3,5-triazine
PubChem CID118039406
Molecular FormulaC7H7F4N3O
Molecular Weight225.14 g/mol
Exact Mass225.05
IUPAC Name2-(2,2,3,3-tetrafluorobutoxy)-1,3,5-triazine
SMILESCC(F)(F)C(F)(F)COc1ncncn1
InChIInChI=1S/C7H7F4N3O/c1-6(8,9)7(10,11)2-15-5-13-3-12-4-14-5/h3-4H,2H2,1H3
InChIKeyIPBLRLCBCRVHFR-UHFFFAOYSA-N
XLogP1.54
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.14
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2,2,3,3-tetrafluorobutoxy)-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

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3-tetrafluorobutoxy)-1,3,5-triazine?
The IUPAC name of 2-(2,2,3,3-tetrafluorobutoxy)-1,3,5-triazine (CID 118039406) is 2-(2,2,3,3-tetrafluorobutoxy)-1,3,5-triazine.
What is the SMILES notation for 2-(2,2,3,3-tetrafluorobutoxy)-1,3,5-triazine?
The canonical SMILES for 2-(2,2,3,3-tetrafluorobutoxy)-1,3,5-triazine is CC(F)(F)C(F)(F)COc1ncncn1.
What is the InChIKey of 2-(2,2,3,3-tetrafluorobutoxy)-1,3,5-triazine?
The InChIKey is IPBLRLCBCRVHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F4N3O/c1-6(8,9)7(10,11)2-15-5-13-3-12-4-14-5/h3-4H,2H2,1H3.
What are the key properties of 2-(2,2,3,3-tetrafluorobutoxy)-1,3,5-triazine?
2-(2,2,3,3-tetrafluorobutoxy)-1,3,5-triazine has a molecular weight of 225.14 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3-tetrafluorobutoxy)-1,3,5-triazine is sourced from PubChem (CID 118039406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).