4-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-methoxy-1,3,5-triazin-2-yl]amino]phenol

C13H10F6N4O3 — CID 1259630

IUPAC4-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-methoxy-1,3,5-triazin-2-yl]amino]phenol
SMILESCOc1nc(Nc2ccc(O)cc2)nc(OC(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C13H10F6N4O3/c1-25-10-21-9(20-6-2-4-7(24)5-3-6)22-11(23-10)26-8(12(14,15)16)13(17,18)19/h2-5,8,24H,1H3,(H,20,21,22,23)
InChIKeyOEZAVZJXGGBZSK-UHFFFAOYSA-N
MW384.24 g/mol
LogP3.20
Rot. Bonds5

About 4-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-methoxy-1,3,5-triazin-2-yl]amino]phenol

4-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-methoxy-1,3,5-triazin-2-yl]amino]phenol (PubChem CID 1259630) has the molecular formula C13H10F6N4O3 and a molecular weight of 384.24 g/mol. Its IUPAC name is 4-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-methoxy-1,3,5-triazin-2-yl]amino]phenol.

Molecular Properties

Compound Name4-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-methoxy-1,3,5-triazin-2-yl]amino]phenol
PubChem CID1259630
Molecular FormulaC13H10F6N4O3
Molecular Weight384.24 g/mol
Exact Mass384.07
IUPAC Name4-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-methoxy-1,3,5-triazin-2-yl]amino]phenol
SMILESCOc1nc(Nc2ccc(O)cc2)nc(OC(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C13H10F6N4O3/c1-25-10-21-9(20-6-2-4-7(24)5-3-6)22-11(23-10)26-8(12(14,15)16)13(17,18)19/h2-5,8,24H,1H3,(H,20,21,22,23)
InChIKeyOEZAVZJXGGBZSK-UHFFFAOYSA-N
XLogP3.20
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.24
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-methoxy-1,3,5-triazin-2-yl]amino]phenol?
The IUPAC name of 4-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-methoxy-1,3,5-triazin-2-yl]amino]phenol (CID 1259630) is 4-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-methoxy-1,3,5-triazin-2-yl]amino]phenol.
What is the SMILES notation for 4-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-methoxy-1,3,5-triazin-2-yl]amino]phenol?
The canonical SMILES for 4-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-methoxy-1,3,5-triazin-2-yl]amino]phenol is COc1nc(Nc2ccc(O)cc2)nc(OC(C(F)(F)F)C(F)(F)F)n1.
What is the InChIKey of 4-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-methoxy-1,3,5-triazin-2-yl]amino]phenol?
The InChIKey is OEZAVZJXGGBZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F6N4O3/c1-25-10-21-9(20-6-2-4-7(24)5-3-6)22-11(23-10)26-8(12(14,15)16)13(17,18)19/h2-5,8,24H,1H3,(H,20,21,22,23).
What are the key properties of 4-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-methoxy-1,3,5-triazin-2-yl]amino]phenol?
4-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-methoxy-1,3,5-triazin-2-yl]amino]phenol has a molecular weight of 384.24 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-methoxy-1,3,5-triazin-2-yl]amino]phenol is sourced from PubChem (CID 1259630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).