6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-2-N-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine

C14H10F9N5O — CID 3666489

IUPAC6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-2-N-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Nc2ccccc2C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C14H10F9N5O/c1-24-9-26-10(25-7-5-3-2-4-6(7)12(15,16)17)28-11(27-9)29-8(13(18,19)20)14(21,22)23/h2-5,8H,1H3,(H2,24,25,26,27,28)
InChIKeyCIIUMRDNVXRGHR-UHFFFAOYSA-N
MW435.25 g/mol
LogP4.55
Rot. Bonds5

About 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-2-N-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine

6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-2-N-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine (PubChem CID 3666489) has the molecular formula C14H10F9N5O and a molecular weight of 435.25 g/mol. Its IUPAC name is 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-2-N-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-2-N-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
PubChem CID3666489
Molecular FormulaC14H10F9N5O
Molecular Weight435.25 g/mol
Exact Mass435.07
IUPAC Name6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-2-N-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Nc2ccccc2C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C14H10F9N5O/c1-24-9-26-10(25-7-5-3-2-4-6(7)12(15,16)17)28-11(27-9)29-8(13(18,19)20)14(21,22)23/h2-5,8H,1H3,(H2,24,25,26,27,28)
InChIKeyCIIUMRDNVXRGHR-UHFFFAOYSA-N
XLogP4.55
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.25
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-2-N-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

N-methyl-N'-phenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 2266465
(4,6-Diethoxy-[1,3,5]triazin-2-yl)-(2-fluoro-phenyl)-amine
CID 1158964
4-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-N-(4-methylphenyl)-6-(morpholin-4-yl)-1,3,5-triazin-2-amine
CID 1068748
N,N-diethyl-6-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-N'-phenyl-1,3,5-triazine-2,4-diamine
CID 1381792
6-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-N-methyl-N'-phenyl-1,3,5-triazine-2,4-diamine
CID 3942679
N-Methyl-N'-phenyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine
CID 129285899
CID 129304813
CID 129304813
CID 129304815
CID 129304815
N-o-Tolyl-[1,3,5]triazine-2,4-diamine
CID 704942
4,6-dimethoxy-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
CID 329167
N-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 757416
2-[[4-(1-Pyrrolidinyl)-6-[2-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]ethanol
CID 24747175

Frequently Asked Questions

What is the IUPAC name of 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-2-N-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-2-N-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine (CID 3666489) is 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-2-N-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-2-N-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-2-N-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine is CNc1nc(Nc2ccccc2C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n1.
What is the InChIKey of 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-2-N-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is CIIUMRDNVXRGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F9N5O/c1-24-9-26-10(25-7-5-3-2-4-6(7)12(15,16)17)28-11(27-9)29-8(13(18,19)20)14(21,22)23/h2-5,8H,1H3,(H2,24,25,26,27,28).
What are the key properties of 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-2-N-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-2-N-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 435.25 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-2-N-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 3666489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).