2,4-difluoro-6-(trifluoromethyl)-1,3,5-triazine

C4F5N3 — CID 9713

IUPAC2,4-difluoro-6-(trifluoromethyl)-1,3,5-triazine
SMILESFc1nc(F)nc(C(F)(F)F)n1
InChIInChI=1S/C4F5N3/c5-2-10-1(4(7,8)9)11-3(6)12-2
InChIKeyHVLOYCOFPILXRG-UHFFFAOYSA-N
MW185.06 g/mol
LogP1.17
Rot. Bonds

About 2,4-difluoro-6-(trifluoromethyl)-1,3,5-triazine

2,4-difluoro-6-(trifluoromethyl)-1,3,5-triazine (PubChem CID 9713) has the molecular formula C4F5N3 and a molecular weight of 185.06 g/mol. Its IUPAC name is 2,4-difluoro-6-(trifluoromethyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-difluoro-6-(trifluoromethyl)-1,3,5-triazine
PubChem CID9713
Molecular FormulaC4F5N3
Molecular Weight185.06 g/mol
Exact Mass185.00
IUPAC Name2,4-difluoro-6-(trifluoromethyl)-1,3,5-triazine
SMILESFc1nc(F)nc(C(F)(F)F)n1
InChIInChI=1S/C4F5N3/c5-2-10-1(4(7,8)9)11-3(6)12-2
InChIKeyHVLOYCOFPILXRG-UHFFFAOYSA-N
XLogP1.17
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.06
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,6-Tris(heptafluoropropyl)-1,3,5-triazine
CID 70185
2,4,6-Tris(trifluoromethyl)-1,3,5-triazine
CID 9715
2,4,6-Tris(pentafluoroethyl)-1,3,5-triazine
CID 70072
2,4,6-Tris(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine
CID 11028301
2-Fluoro-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine
CID 15522404
2,4-Difluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine
CID 15522403
6-(Trifluoromethyl)-1,3,5-triazine-2,4-diamine
CID 12806
2,4,6-Tris(chlorodifluoromethyl)-1,3,5-triazine
CID 2778033
4-Chloro-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 22244964
2,4,6-Tris(nonafluoro-t-butyl)-1,3,5-triazine
CID 549799
2-Fluoro-4,6-bis(trifluoromethyl)-1,3,5-triazine
CID 12859
4,6-Bis(trifluoromethyl)-1,3,5-triazin-2-amine
CID 34493

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-6-(trifluoromethyl)-1,3,5-triazine?
The IUPAC name of 2,4-difluoro-6-(trifluoromethyl)-1,3,5-triazine (CID 9713) is 2,4-difluoro-6-(trifluoromethyl)-1,3,5-triazine.
What is the SMILES notation for 2,4-difluoro-6-(trifluoromethyl)-1,3,5-triazine?
The canonical SMILES for 2,4-difluoro-6-(trifluoromethyl)-1,3,5-triazine is Fc1nc(F)nc(C(F)(F)F)n1.
What is the InChIKey of 2,4-difluoro-6-(trifluoromethyl)-1,3,5-triazine?
The InChIKey is HVLOYCOFPILXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F5N3/c5-2-10-1(4(7,8)9)11-3(6)12-2.
What are the key properties of 2,4-difluoro-6-(trifluoromethyl)-1,3,5-triazine?
2,4-difluoro-6-(trifluoromethyl)-1,3,5-triazine has a molecular weight of 185.06 g/mol, XLogP of 1.17, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-6-(trifluoromethyl)-1,3,5-triazine is sourced from PubChem (CID 9713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).