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

C5H4ClF2N3O — CID 142476080

IUPAC2-chloro-4-(2,2-difluoroethoxy)-1,3,5-triazine
SMILESFC(F)COc1ncnc(Cl)n1
InChIInChI=1S/C5H4ClF2N3O/c6-4-9-2-10-5(11-4)12-1-3(7)8/h2-3H,1H2
InChIKeyTWRFBWVQXBHLFR-UHFFFAOYSA-N
MW195.56 g/mol
LogP1.17
Rot. Bonds3

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

2-chloro-4-(2,2-difluoroethoxy)-1,3,5-triazine (PubChem CID 142476080) has the molecular formula C5H4ClF2N3O and a molecular weight of 195.56 g/mol. Its IUPAC name is 2-chloro-4-(2,2-difluoroethoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(2,2-difluoroethoxy)-1,3,5-triazine
PubChem CID142476080
Molecular FormulaC5H4ClF2N3O
Molecular Weight195.56 g/mol
Exact Mass195.00
IUPAC Name2-chloro-4-(2,2-difluoroethoxy)-1,3,5-triazine
SMILESFC(F)COc1ncnc(Cl)n1
InChIInChI=1S/C5H4ClF2N3O/c6-4-9-2-10-5(11-4)12-1-3(7)8/h2-3H,1H2
InChIKeyTWRFBWVQXBHLFR-UHFFFAOYSA-N
XLogP1.17
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.56
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2,2-difluoroethoxy)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(2,2-difluoroethoxy)-1,3,5-triazine (CID 142476080) is 2-chloro-4-(2,2-difluoroethoxy)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(2,2-difluoroethoxy)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(2,2-difluoroethoxy)-1,3,5-triazine is FC(F)COc1ncnc(Cl)n1.
What is the InChIKey of 2-chloro-4-(2,2-difluoroethoxy)-1,3,5-triazine?
The InChIKey is TWRFBWVQXBHLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClF2N3O/c6-4-9-2-10-5(11-4)12-1-3(7)8/h2-3H,1H2.
What are the key properties of 2-chloro-4-(2,2-difluoroethoxy)-1,3,5-triazine?
2-chloro-4-(2,2-difluoroethoxy)-1,3,5-triazine has a molecular weight of 195.56 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2,2-difluoroethoxy)-1,3,5-triazine is sourced from PubChem (CID 142476080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).