[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-1,2,4-triazol-3-yl]methanol

C7H7F6N3O — CID 103311294

IUPAC[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-1,2,4-triazol-3-yl]methanol
SMILESCn1c(CO)nnc1C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H7F6N3O/c1-16-3(2-17)14-15-5(16)4(6(8,9)10)7(11,12)13/h4,17H,2H2,1H3
InChIKeyJDAXRUHUQOBCCE-UHFFFAOYSA-N
MW263.14 g/mol
LogP1.52
Rot. Bonds2

About [5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-1,2,4-triazol-3-yl]methanol

[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-1,2,4-triazol-3-yl]methanol (PubChem CID 103311294) has the molecular formula C7H7F6N3O and a molecular weight of 263.14 g/mol. Its IUPAC name is [5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-1,2,4-triazol-3-yl]methanol
PubChem CID103311294
Molecular FormulaC7H7F6N3O
Molecular Weight263.14 g/mol
Exact Mass263.05
IUPAC Name[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-1,2,4-triazol-3-yl]methanol
SMILESCn1c(CO)nnc1C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H7F6N3O/c1-16-3(2-17)14-15-5(16)4(6(8,9)10)7(11,12)13/h4,17H,2H2,1H3
InChIKeyJDAXRUHUQOBCCE-UHFFFAOYSA-N
XLogP1.52
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.14
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-1,2,4-triazol-3-yl]methanol (CID 103311294) is [5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-1,2,4-triazol-3-yl]methanol is Cn1c(CO)nnc1C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of [5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-1,2,4-triazol-3-yl]methanol?
The InChIKey is JDAXRUHUQOBCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F6N3O/c1-16-3(2-17)14-15-5(16)4(6(8,9)10)7(11,12)13/h4,17H,2H2,1H3.
What are the key properties of [5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-1,2,4-triazol-3-yl]methanol?
[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-1,2,4-triazol-3-yl]methanol has a molecular weight of 263.14 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 103311294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).