6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine

C14H13F6N5O — CID 3572318

IUPAC6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Nc2ccc(C)cc2)nc(OC(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C14H13F6N5O/c1-7-3-5-8(6-4-7)22-11-23-10(21-2)24-12(25-11)26-9(13(15,16)17)14(18,19)20/h3-6,9H,1-2H3,(H2,21,22,23,24,25)
InChIKeyHELPQXXBPUFPBM-UHFFFAOYSA-N
MW381.28 g/mol
LogP3.84
Rot. Bonds5

About 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine

6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 3572318) has the molecular formula C14H13F6N5O and a molecular weight of 381.28 g/mol. Its IUPAC name is 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-2-N-(4-methylphenyl)-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-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID3572318
Molecular FormulaC14H13F6N5O
Molecular Weight381.28 g/mol
Exact Mass381.10
IUPAC Name6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Nc2ccc(C)cc2)nc(OC(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C14H13F6N5O/c1-7-3-5-8(6-4-7)22-11-23-10(21-2)24-12(25-11)26-9(13(15,16)17)14(18,19)20/h3-6,9H,1-2H3,(H2,21,22,23,24,25)
InChIKeyHELPQXXBPUFPBM-UHFFFAOYSA-N
XLogP3.84
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.28
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-2-N-(4-methylphenyl)-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-(4-methylphenyl)-1,3,5-triazine-2,4-diamine (CID 3572318) is 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-2-N-(4-methylphenyl)-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-(4-methylphenyl)-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-(4-methylphenyl)-1,3,5-triazine-2,4-diamine is CNc1nc(Nc2ccc(C)cc2)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-(4-methylphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is HELPQXXBPUFPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F6N5O/c1-7-3-5-8(6-4-7)22-11-23-10(21-2)24-12(25-11)26-9(13(15,16)17)14(18,19)20/h3-6,9H,1-2H3,(H2,21,22,23,24,25).
What are the key properties of 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine?
6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 381.28 g/mol, XLogP of 3.84, 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-(4-methylphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 3572318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).