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

C5H3ClF3N3O — CID 114999308

IUPAC3-chloro-5-(2,2,2-trifluoroethoxy)-1,2,4-triazine
SMILESFC(F)(F)COc1cnnc(Cl)n1
InChIInChI=1S/C5H3ClF3N3O/c6-4-11-3(1-10-12-4)13-2-5(7,8)9/h1H,2H2
InChIKeyJHRSHSXFDKOCCL-UHFFFAOYSA-N
MW213.55 g/mol
LogP1.47
Rot. Bonds2

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

3-chloro-5-(2,2,2-trifluoroethoxy)-1,2,4-triazine (PubChem CID 114999308) has the molecular formula C5H3ClF3N3O and a molecular weight of 213.55 g/mol. Its IUPAC name is 3-chloro-5-(2,2,2-trifluoroethoxy)-1,2,4-triazine.

Molecular Properties

Compound Name3-chloro-5-(2,2,2-trifluoroethoxy)-1,2,4-triazine
PubChem CID114999308
Molecular FormulaC5H3ClF3N3O
Molecular Weight213.55 g/mol
Exact Mass212.99
IUPAC Name3-chloro-5-(2,2,2-trifluoroethoxy)-1,2,4-triazine
SMILESFC(F)(F)COc1cnnc(Cl)n1
InChIInChI=1S/C5H3ClF3N3O/c6-4-11-3(1-10-12-4)13-2-5(7,8)9/h1H,2H2
InChIKeyJHRSHSXFDKOCCL-UHFFFAOYSA-N
XLogP1.47
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.55
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(2,2,2-trifluoroethoxy)-1,2,4-triazine?
The IUPAC name of 3-chloro-5-(2,2,2-trifluoroethoxy)-1,2,4-triazine (CID 114999308) is 3-chloro-5-(2,2,2-trifluoroethoxy)-1,2,4-triazine.
What is the SMILES notation for 3-chloro-5-(2,2,2-trifluoroethoxy)-1,2,4-triazine?
The canonical SMILES for 3-chloro-5-(2,2,2-trifluoroethoxy)-1,2,4-triazine is FC(F)(F)COc1cnnc(Cl)n1.
What is the InChIKey of 3-chloro-5-(2,2,2-trifluoroethoxy)-1,2,4-triazine?
The InChIKey is JHRSHSXFDKOCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClF3N3O/c6-4-11-3(1-10-12-4)13-2-5(7,8)9/h1H,2H2.
What are the key properties of 3-chloro-5-(2,2,2-trifluoroethoxy)-1,2,4-triazine?
3-chloro-5-(2,2,2-trifluoroethoxy)-1,2,4-triazine has a molecular weight of 213.55 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(2,2,2-trifluoroethoxy)-1,2,4-triazine is sourced from PubChem (CID 114999308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).