2-chloro-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine

C7H4ClF6N3O2 — CID 53342808

IUPAC2-chloro-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine
SMILESFC(F)(F)COc1nc(Cl)nc(OCC(F)(F)F)n1
InChIInChI=1S/C7H4ClF6N3O2/c8-3-15-4(18-1-6(9,10)11)17-5(16-3)19-2-7(12,13)14/h1-2H2
InChIKeyVZVABEMPLUVTOY-UHFFFAOYSA-N
MW311.57 g/mol
LogP2.41
Rot. Bonds4

About 2-chloro-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine

2-chloro-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine (PubChem CID 53342808) has the molecular formula C7H4ClF6N3O2 and a molecular weight of 311.57 g/mol. Its IUPAC name is 2-chloro-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine
PubChem CID53342808
Molecular FormulaC7H4ClF6N3O2
Molecular Weight311.57 g/mol
Exact Mass310.99
IUPAC Name2-chloro-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine
SMILESFC(F)(F)COc1nc(Cl)nc(OCC(F)(F)F)n1
InChIInChI=1S/C7H4ClF6N3O2/c8-3-15-4(18-1-6(9,10)11)17-5(16-3)19-2-7(12,13)14/h1-2H2
InChIKeyVZVABEMPLUVTOY-UHFFFAOYSA-N
XLogP2.41
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.57
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2,2,2-Trifluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 139595246
4,6-Bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 1375552
2,4,6-Tris(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 3091708
2-Chloro-4,6-diethoxy-1,3,5-triazine
CID 35649
2,4,6-Tris(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazine
CID 12586979
1,3,5-Triazin-2-amine, 4-methoxy-6-(2,2,2-trifluoroethoxy)-
CID 180958
2,4,6-Tris[1-(trifluoromethyl)-2,2,2-trifluoroethoxy]-1,3,5-triazine
CID 2827226
2-Amino-4-ethoxy-6-trifluoromethoxy-1,3,5-triazine
CID 15010395
4-[Chloro(difluoro)methoxy]-6-ethoxy-1,3,5-triazin-2-amine
CID 15010396
2,4-Difluoro-6-(2-methoxyethoxy)-1,3,5-triazine
CID 20265325
2-Ethoxy-4,6-difluoro-1,3,5-triazine
CID 20403084
2,4-Dichloro-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 58039636

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine?
The IUPAC name of 2-chloro-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine (CID 53342808) is 2-chloro-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine is FC(F)(F)COc1nc(Cl)nc(OCC(F)(F)F)n1.
What is the InChIKey of 2-chloro-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine?
The InChIKey is VZVABEMPLUVTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF6N3O2/c8-3-15-4(18-1-6(9,10)11)17-5(16-3)19-2-7(12,13)14/h1-2H2.
What are the key properties of 2-chloro-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine?
2-chloro-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine has a molecular weight of 311.57 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine is sourced from PubChem (CID 53342808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).