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

C6H4ClF4N3O — CID 115000075

IUPAC3-chloro-5-(2,2,3,3-tetrafluoropropoxy)-1,2,4-triazine
SMILESFC(F)C(F)(F)COc1cnnc(Cl)n1
InChIInChI=1S/C6H4ClF4N3O/c7-5-13-3(1-12-14-5)15-2-6(10,11)4(8)9/h1,4H,2H2
InChIKeyVINXHMNTQOUICZ-UHFFFAOYSA-N
MW245.56 g/mol
LogP1.80
Rot. Bonds4

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

3-chloro-5-(2,2,3,3-tetrafluoropropoxy)-1,2,4-triazine (PubChem CID 115000075) has the molecular formula C6H4ClF4N3O and a molecular weight of 245.56 g/mol. Its IUPAC name is 3-chloro-5-(2,2,3,3-tetrafluoropropoxy)-1,2,4-triazine.

Molecular Properties

Compound Name3-chloro-5-(2,2,3,3-tetrafluoropropoxy)-1,2,4-triazine
PubChem CID115000075
Molecular FormulaC6H4ClF4N3O
Molecular Weight245.56 g/mol
Exact Mass245.00
IUPAC Name3-chloro-5-(2,2,3,3-tetrafluoropropoxy)-1,2,4-triazine
SMILESFC(F)C(F)(F)COc1cnnc(Cl)n1
InChIInChI=1S/C6H4ClF4N3O/c7-5-13-3(1-12-14-5)15-2-6(10,11)4(8)9/h1,4H,2H2
InChIKeyVINXHMNTQOUICZ-UHFFFAOYSA-N
XLogP1.80
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.56
LogP ≤ 51.80
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 3-chloro-5-(2,2,3,3-tetrafluoropropoxy)-1,2,4-triazine?
The IUPAC name of 3-chloro-5-(2,2,3,3-tetrafluoropropoxy)-1,2,4-triazine (CID 115000075) is 3-chloro-5-(2,2,3,3-tetrafluoropropoxy)-1,2,4-triazine.
What is the SMILES notation for 3-chloro-5-(2,2,3,3-tetrafluoropropoxy)-1,2,4-triazine?
The canonical SMILES for 3-chloro-5-(2,2,3,3-tetrafluoropropoxy)-1,2,4-triazine is FC(F)C(F)(F)COc1cnnc(Cl)n1.
What is the InChIKey of 3-chloro-5-(2,2,3,3-tetrafluoropropoxy)-1,2,4-triazine?
The InChIKey is VINXHMNTQOUICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF4N3O/c7-5-13-3(1-12-14-5)15-2-6(10,11)4(8)9/h1,4H,2H2.
What are the key properties of 3-chloro-5-(2,2,3,3-tetrafluoropropoxy)-1,2,4-triazine?
3-chloro-5-(2,2,3,3-tetrafluoropropoxy)-1,2,4-triazine has a molecular weight of 245.56 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(2,2,3,3-tetrafluoropropoxy)-1,2,4-triazine is sourced from PubChem (CID 115000075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).