2-fluoro-4-(trifluoromethoxy)-1,3,5-triazine

C4HF4N3O — CID 19104342

IUPAC2-fluoro-4-(trifluoromethoxy)-1,3,5-triazine
SMILESFc1ncnc(OC(F)(F)F)n1
InChIInChI=1S/C4HF4N3O/c5-2-9-1-10-3(11-2)12-4(6,7)8/h1H
InChIKeyGRQXAXLQKZBRBE-UHFFFAOYSA-N
MW183.06 g/mol
LogP0.91
Rot. Bonds1

About 2-fluoro-4-(trifluoromethoxy)-1,3,5-triazine

2-fluoro-4-(trifluoromethoxy)-1,3,5-triazine (PubChem CID 19104342) has the molecular formula C4HF4N3O and a molecular weight of 183.06 g/mol. Its IUPAC name is 2-fluoro-4-(trifluoromethoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2-fluoro-4-(trifluoromethoxy)-1,3,5-triazine
PubChem CID19104342
Molecular FormulaC4HF4N3O
Molecular Weight183.06 g/mol
Exact Mass183.01
IUPAC Name2-fluoro-4-(trifluoromethoxy)-1,3,5-triazine
SMILESFc1ncnc(OC(F)(F)F)n1
InChIInChI=1S/C4HF4N3O/c5-2-9-1-10-3(11-2)12-4(6,7)8/h1H
InChIKeyGRQXAXLQKZBRBE-UHFFFAOYSA-N
XLogP0.91
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.06
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-Difluoro-1,3,5-triazine
CID 20062980
2-Trifluoro-methoxy-1,3,5-triazine
CID 21749684
2-Fluoro-4-methoxy-1,3,5-triazine
CID 17959652
2,4-Bis(trifluoromethoxy)-1,3,5-triazine
CID 19104346
2-Chloro-4-(trifluoromethoxy)-1,3,5-triazine
CID 19104351
2-(Fluoromethoxy)-1,3,5-triazine
CID 19104354
2-[Chloro(difluoro)methoxy]-1,3,5-triazine
CID 19104360
2-Methoxy-4-(trifluoromethoxy)-1,3,5-triazine
CID 19777656
1-(Trifluoromethyl)-1,3,5-triazin-1-ium
CID 22718958
1,3,5-Triazin-2-yl hypofluorite
CID 56974357
4-[chloro(difluoro)methoxy]-N,N-dimethyl-1,3,5-triazin-2-amine
CID 56981742
2-(Difluoromethoxy)-1,3,5-triazine
CID 70378207

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(trifluoromethoxy)-1,3,5-triazine?
The IUPAC name of 2-fluoro-4-(trifluoromethoxy)-1,3,5-triazine (CID 19104342) is 2-fluoro-4-(trifluoromethoxy)-1,3,5-triazine.
What is the SMILES notation for 2-fluoro-4-(trifluoromethoxy)-1,3,5-triazine?
The canonical SMILES for 2-fluoro-4-(trifluoromethoxy)-1,3,5-triazine is Fc1ncnc(OC(F)(F)F)n1.
What is the InChIKey of 2-fluoro-4-(trifluoromethoxy)-1,3,5-triazine?
The InChIKey is GRQXAXLQKZBRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF4N3O/c5-2-9-1-10-3(11-2)12-4(6,7)8/h1H.
What are the key properties of 2-fluoro-4-(trifluoromethoxy)-1,3,5-triazine?
2-fluoro-4-(trifluoromethoxy)-1,3,5-triazine has a molecular weight of 183.06 g/mol, XLogP of 0.91, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(trifluoromethoxy)-1,3,5-triazine is sourced from PubChem (CID 19104342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).