4,6-difluoro-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazin-2-amine

C6H5F5N4 — CID 13235955

IUPAC4,6-difluoro-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazin-2-amine
SMILESCC(Nc1nc(F)nc(F)n1)C(F)(F)F
InChIInChI=1S/C6H5F5N4/c1-2(6(9,10)11)12-5-14-3(7)13-4(8)15-5/h2H,1H3,(H,12,13,14,15)
InChIKeyXFLTWSDXYRBYHA-UHFFFAOYSA-N
MW228.12 g/mol
LogP1.51
Rot. Bonds2

About 4,6-difluoro-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazin-2-amine

4,6-difluoro-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazin-2-amine (PubChem CID 13235955) has the molecular formula C6H5F5N4 and a molecular weight of 228.12 g/mol. Its IUPAC name is 4,6-difluoro-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-difluoro-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazin-2-amine
PubChem CID13235955
Molecular FormulaC6H5F5N4
Molecular Weight228.12 g/mol
Exact Mass228.04
IUPAC Name4,6-difluoro-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazin-2-amine
SMILESCC(Nc1nc(F)nc(F)n1)C(F)(F)F
InChIInChI=1S/C6H5F5N4/c1-2(6(9,10)11)12-5-14-3(7)13-4(8)15-5/h2H,1H3,(H,12,13,14,15)
InChIKeyXFLTWSDXYRBYHA-UHFFFAOYSA-N
XLogP1.51
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.12
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4,6-difluoro-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

Deethylatrazine
CID 22563
1,3,5-Triazine-2,4-diamine, 6-chloro-N2-methyl-N4-(1-methylethyl)-
CID 18153
Melamine, N2,N4,N6-triisopropyl-
CID 21623
2-Fluoro-4,6-bis[(2,2,2-trifluoroethyl)amino]-1,3,5-triazine
CID 10447086
s-Triazine, 2-amino-4-isopropylamino-6-trifluoromethyl-
CID 3041987
1,3,5-Triazine-2,4,6-triamine, N-ethyl-N'-(1-methylethyl)-
CID 11217811
2-N,4-N,6-N-tris(2,2-difluoroethyl)-1,3,5-triazine-2,4,6-triamine
CID 132607734
2-N,4-N,6-N-tris(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine
CID 10384630
N~2~-(Propan-2-yl)-1,3,5-triazine-2,4,6-triamine
CID 27785
4-N-ethyl-6-fluoro-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 13063
6-fluoro-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine
CID 34926
2-N,4-N-diethyl-6-fluoro-1,3,5-triazine-2,4-diamine
CID 12611

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-difluoro-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazin-2-amine (CID 13235955) is 4,6-difluoro-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-difluoro-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-difluoro-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazin-2-amine is CC(Nc1nc(F)nc(F)n1)C(F)(F)F.
What is the InChIKey of 4,6-difluoro-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazin-2-amine?
The InChIKey is XFLTWSDXYRBYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F5N4/c1-2(6(9,10)11)12-5-14-3(7)13-4(8)15-5/h2H,1H3,(H,12,13,14,15).
What are the key properties of 4,6-difluoro-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazin-2-amine?
4,6-difluoro-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazin-2-amine has a molecular weight of 228.12 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 13235955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).