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

C5F7N3 — CID 12859

IUPAC2-fluoro-4,6-bis(trifluoromethyl)-1,3,5-triazine
SMILESFc1nc(C(F)(F)F)nc(C(F)(F)F)n1
InChIInChI=1S/C5F7N3/c6-3-14-1(4(7,8)9)13-2(15-3)5(10,11)12
InChIKeyOLMSSZNPDRXUIX-UHFFFAOYSA-N
MW235.06 g/mol
LogP2.05
Rot. Bonds

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

2-fluoro-4,6-bis(trifluoromethyl)-1,3,5-triazine (PubChem CID 12859) has the molecular formula C5F7N3 and a molecular weight of 235.06 g/mol. Its IUPAC name is 2-fluoro-4,6-bis(trifluoromethyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-fluoro-4,6-bis(trifluoromethyl)-1,3,5-triazine
PubChem CID12859
Molecular FormulaC5F7N3
Molecular Weight235.06 g/mol
Exact Mass235.00
IUPAC Name2-fluoro-4,6-bis(trifluoromethyl)-1,3,5-triazine
SMILESFc1nc(C(F)(F)F)nc(C(F)(F)F)n1
InChIInChI=1S/C5F7N3/c6-3-14-1(4(7,8)9)13-2(15-3)5(10,11)12
InChIKeyOLMSSZNPDRXUIX-UHFFFAOYSA-N
XLogP2.05
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.06
LogP ≤ 52.05
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
2,4-Difluoro-6-(trifluoromethyl)-S-triazine
CID 9713
4,6-Bis(trifluoromethyl)-1,3,5-triazin-2-amine
CID 34493

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4,6-bis(trifluoromethyl)-1,3,5-triazine?
The IUPAC name of 2-fluoro-4,6-bis(trifluoromethyl)-1,3,5-triazine (CID 12859) is 2-fluoro-4,6-bis(trifluoromethyl)-1,3,5-triazine.
What is the SMILES notation for 2-fluoro-4,6-bis(trifluoromethyl)-1,3,5-triazine?
The canonical SMILES for 2-fluoro-4,6-bis(trifluoromethyl)-1,3,5-triazine is Fc1nc(C(F)(F)F)nc(C(F)(F)F)n1.
What is the InChIKey of 2-fluoro-4,6-bis(trifluoromethyl)-1,3,5-triazine?
The InChIKey is OLMSSZNPDRXUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5F7N3/c6-3-14-1(4(7,8)9)13-2(15-3)5(10,11)12.
What are the key properties of 2-fluoro-4,6-bis(trifluoromethyl)-1,3,5-triazine?
2-fluoro-4,6-bis(trifluoromethyl)-1,3,5-triazine has a molecular weight of 235.06 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4,6-bis(trifluoromethyl)-1,3,5-triazine is sourced from PubChem (CID 12859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).