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

C5ClF6N3O2 — CID 19104356

IUPAC2-chloro-4,6-bis(trifluoromethoxy)-1,3,5-triazine
SMILESFC(F)(F)Oc1nc(Cl)nc(OC(F)(F)F)n1
InChIInChI=1S/C5ClF6N3O2/c6-1-13-2(16-4(7,8)9)15-3(14-1)17-5(10,11)12
InChIKeyKFBDRCSWYQNYQC-UHFFFAOYSA-N
MW283.52 g/mol
LogP2.32
Rot. Bonds2

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

2-chloro-4,6-bis(trifluoromethoxy)-1,3,5-triazine (PubChem CID 19104356) has the molecular formula C5ClF6N3O2 and a molecular weight of 283.52 g/mol. Its IUPAC name is 2-chloro-4,6-bis(trifluoromethoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4,6-bis(trifluoromethoxy)-1,3,5-triazine
PubChem CID19104356
Molecular FormulaC5ClF6N3O2
Molecular Weight283.52 g/mol
Exact Mass282.96
IUPAC Name2-chloro-4,6-bis(trifluoromethoxy)-1,3,5-triazine
SMILESFC(F)(F)Oc1nc(Cl)nc(OC(F)(F)F)n1
InChIInChI=1S/C5ClF6N3O2/c6-1-13-2(16-4(7,8)9)15-3(14-1)17-5(10,11)12
InChIKeyKFBDRCSWYQNYQC-UHFFFAOYSA-N
XLogP2.32
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.52
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-Dichloro-6-(trifluoromethoxy)-1,3,5-triazine
CID 10966416
2-Chloro-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-1,3,5-triazine
CID 154244004
6-[Chloro(difluoro)methoxy]-1,3,5-triazine-2,4-diamine
CID 10867578
2-[Chloro(difluoro)methoxy]-4,6-difluoro-1,3,5-triazine
CID 10921951
4-[Chloro(difluoro)methoxy]-6-fluoro-1,3,5-triazin-2-amine
CID 11009320
2,4-Difluoro-6-(trichloromethoxy)-1,3,5-triazine
CID 15010386
1,3,5-Triazine, 2,4-difluoro-6-(trifluoromethoxy)-
CID 15010387
2-Amino-4-fluoro-6-trifluoromethoxy-1,3,5-triazin
CID 15010388
4-Chloro-6-(trifluoromethoxy)-1,3,5-triazin-2-amine
CID 19006211
4-Chloro-6-[chloro(difluoro)methoxy]-1,3,5-triazin-2-amine
CID 19006213
4,6-Bis(trifluoromethoxy)-1,3,5-triazin-2-amine
CID 19006225
2-Fluoro-4,6-bis(trichloromethoxy)-1,3,5-triazine
CID 19104340

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-bis(trifluoromethoxy)-1,3,5-triazine?
The IUPAC name of 2-chloro-4,6-bis(trifluoromethoxy)-1,3,5-triazine (CID 19104356) is 2-chloro-4,6-bis(trifluoromethoxy)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4,6-bis(trifluoromethoxy)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4,6-bis(trifluoromethoxy)-1,3,5-triazine is FC(F)(F)Oc1nc(Cl)nc(OC(F)(F)F)n1.
What is the InChIKey of 2-chloro-4,6-bis(trifluoromethoxy)-1,3,5-triazine?
The InChIKey is KFBDRCSWYQNYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5ClF6N3O2/c6-1-13-2(16-4(7,8)9)15-3(14-1)17-5(10,11)12.
What are the key properties of 2-chloro-4,6-bis(trifluoromethoxy)-1,3,5-triazine?
2-chloro-4,6-bis(trifluoromethoxy)-1,3,5-triazine has a molecular weight of 283.52 g/mol, XLogP of 2.32, 2 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(trifluoromethoxy)-1,3,5-triazine is sourced from PubChem (CID 19104356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).