N-(2-methylphenyl)-4,6-bis(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine

C16H16F6N4O2 — CID 161348200

IUPACN-(2-methylphenyl)-4,6-bis(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine
SMILESCc1ccccc1Nc1nc(OC(C)C(F)(F)F)nc(OC(C)C(F)(F)F)n1
InChIInChI=1S/C16H16F6N4O2/c1-8-6-4-5-7-11(8)23-12-24-13(27-9(2)15(17,18)19)26-14(25-12)28-10(3)16(20,21)22/h4-7,9-10H,1-3H3,(H,23,24,25,26)
InChIKeyVNOWPBMJPNOVNW-UHFFFAOYSA-N
MW410.32 g/mol
LogP4.58
Rot. Bonds6

About N-(2-methylphenyl)-4,6-bis(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine

N-(2-methylphenyl)-4,6-bis(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine (PubChem CID 161348200) has the molecular formula C16H16F6N4O2 and a molecular weight of 410.32 g/mol. Its IUPAC name is N-(2-methylphenyl)-4,6-bis(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(2-methylphenyl)-4,6-bis(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine
PubChem CID161348200
Molecular FormulaC16H16F6N4O2
Molecular Weight410.32 g/mol
Exact Mass410.12
IUPAC NameN-(2-methylphenyl)-4,6-bis(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine
SMILESCc1ccccc1Nc1nc(OC(C)C(F)(F)F)nc(OC(C)C(F)(F)F)n1
InChIInChI=1S/C16H16F6N4O2/c1-8-6-4-5-7-11(8)23-12-24-13(27-9(2)15(17,18)19)26-14(25-12)28-10(3)16(20,21)22/h4-7,9-10H,1-3H3,(H,23,24,25,26)
InChIKeyVNOWPBMJPNOVNW-UHFFFAOYSA-N
XLogP4.58
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.32
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-4,6-bis(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine?
The IUPAC name of N-(2-methylphenyl)-4,6-bis(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine (CID 161348200) is N-(2-methylphenyl)-4,6-bis(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(2-methylphenyl)-4,6-bis(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine?
The canonical SMILES for N-(2-methylphenyl)-4,6-bis(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine is Cc1ccccc1Nc1nc(OC(C)C(F)(F)F)nc(OC(C)C(F)(F)F)n1.
What is the InChIKey of N-(2-methylphenyl)-4,6-bis(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine?
The InChIKey is VNOWPBMJPNOVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F6N4O2/c1-8-6-4-5-7-11(8)23-12-24-13(27-9(2)15(17,18)19)26-14(25-12)28-10(3)16(20,21)22/h4-7,9-10H,1-3H3,(H,23,24,25,26).
What are the key properties of N-(2-methylphenyl)-4,6-bis(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine?
N-(2-methylphenyl)-4,6-bis(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine has a molecular weight of 410.32 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-4,6-bis(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 161348200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).